N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H18N6O3S/c1-3-8-22-15(25)20-21-16(22)26-10(2)13(23)19-14(24)18-12-6-4-11(9-17)5-7-12/h4-7,10H,3,8H2,1-2H3,(H,20,25)(H2,18,19,23,24)