3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CC1N2C=NN=C2SCCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c22-14(19-15(23)17-10-12-4-2-1-3-5-12)8-9-24-16-20-18-11-21(16)13-6-7-13/h1-5,11,13H,6-10H2,(H2,17,19,22,23)