N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C20H22N6O2S/c1-4-10-25-19(28)23-24-20(25)29-12-17(27)22-18-16(11-21)13(2)14(3)26(18)15-8-6-5-7-9-15/h5-9H,4,10,12H2,1-3H3,(H,22,27)(H,23,28)