(2R)-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-benzyl-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16(19(26)24(2)15-18-11-7-4-8-12-18)28-21-23-22-20(27)25(21)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H,22,27)/t16-/m1/s1