ethyl 5-azanyl-4-cyano-3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(o-tolyl)tetrazol-5-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N6O2S2 MolecularWeight: 400.47794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2C3=CC=CC=C3C

InChI

InChI=1S/C17H16N6O2S2/c1-3-25-16(24)14-12(11(8-18)15(19)27-14)9-26-17-20-21-22-23(17)13-7-5-4-6-10(13)2/h4-7H,3,9,19H2,1-2H3