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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O2S2/c1-2-31-23(30)21-19(18(14-25)22(26)33-21)15-32-24-28-27-20(13-16-9-5-3-6-10-16)29(24)17-11-7-4-8-12-17/h3-12H,2,13,15,26H2,1H3