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

Systemtic Name: (2R)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCN1C(=O)NN=C1S[C@H](C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C16H19N5O2S/c1-3-4-9-21-15(23)19-20-16(21)24-11(2)14(22)18-13-8-6-5-7-12(13)10-17/h5-8,11H,3-4,9H2,1-2H3,(H,18,22)(H,19,23)/t11-/m1/s1