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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H23N5O2S2/c1-4-9-26-19(14-8-6-7-13(3)10-14)24-25-21(26)29-12-16-15(11-22)18(23)30-17(16)20(27)28-5-2/h6-8,10H,4-5,9,12,23H2,1-3H3