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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(1-phenyltetrazol-5-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H14N6O2S2 MolecularWeight: 386.45136

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O2S2/c1-2-24-15(23)13-12(11(8-17)14(18)26-13)9-25-16-19-20-21-22(16)10-6-4-3-5-7-10/h3-7H,2,9,18H2,1H3