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

Systemtic Name: (2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-benzyl-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15(18(25)21-14-17-10-6-3-7-11-17)27-20-23-22-19(26)24(20)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,21,25)(H,22,26)/t15-/m0/s1