Mol:
37052-78-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0
0.1462 5.7609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 8.5557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0332 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0332 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 5 1 0 0 0 0
8 10 1 0 0 0 0
6 11 1 0 0 0 0
11 12 2 0 0 0 0
12 3 1 0 0 0 0
M END
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2-巯基-5-甲氧基苯并咪唑 MDL:
MFCD00134581
2-巯基-5-甲氧基苯并咪唑 InChIKey:
KOFBRZWVWJCLGM-UHFFFAOYSA-N
2-巯基-5-甲氧基苯并咪唑 Inchi:
1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
2-巯基-5-甲氧基苯并咪唑 SMILES:
S=C1N([H])C2C([H])=C([H])C(=C([H])C=2N1[H])OC([H])([H])[H]
2-巯基-5-甲氧基苯并咪唑 BRN:
3605123