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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

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