(2S)-N-(phenylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(phenylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(phenylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-[anilino(oxo)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(phenylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(phenylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-13(16(24)21-17(25)20-14-8-4-2-5-9-14)26-18-19-12-23(22-18)15-10-6-3-7-11-15/h2-13H,1H3,(H2,20,21,24,25)/t13-/m0/s1