3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)propanamide CAS Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(benzylcarbamoyl)propionamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1CC=C)SCCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H21N5O2S/c1-3-10-22-13(2)20-21-17(22)25-11-9-15(23)19-16(24)18-12-14-7-5-4-6-8-14/h3-8H,1,9-12H2,2H3,(H2,18,19,23,24)