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

Systemtic Name: ethyl 5-azanyl-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H14ClN5O2S2 MolecularWeight: 419.90836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H14ClN5O2S2/c1-2-25-16(24)14-13(12(7-19)15(20)27-14)8-26-17-22-21-9-23(17)11-5-3-4-10(18)6-11/h3-6,9H,2,8,20H2,1H3