3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)propanamide CAS Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)propanamide Traditional Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(benzylcarbamoyl)propionamide Formula: C16H20N6O2S MolecularWeight: 360.434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O2S/c17-22-14(12-6-7-12)20-21-16(22)25-9-8-13(23)19-15(24)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10,17H2,(H2,18,19,23,24)