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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(p-tolyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(4-methylphenyl)-5-tetrazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(p-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=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2C3=CC=C(C=C3)C

InChI

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