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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)propanamide CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(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)SC(C)C(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/c1-4-10-22-13(3)20-21-17(22)25-12(2)15(23)19-16(24)18-11-14-8-6-5-7-9-14/h4-9,12H,1,10-11H2,2-3H3,(H2,18,19,23,24)