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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S2/c1-3-26-18(25)16-14(13(10-20)17(21)28-16)11-27-19-23-22-15(24(19)2)9-12-7-5-4-6-8-12/h4-8H,3,9,11,21H2,1-2H3