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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N6O3S2 MolecularWeight: 416.47734

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O3S2/c1-3-26-16(24)14-13(12(8-18)15(19)28-14)9-27-17-20-21-22-23(17)10-4-6-11(25-2)7-5-10/h4-7H,3,9,19H2,1-2H3