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

Systemtic Name: (2S)-N-(4-methoxyphenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-methoxyphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(4-methoxyphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methoxyphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-14(18(25)21-16-8-10-17(27-2)11-9-16)28-20-23-22-19(26)24(20)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,25)(H,22,26)/t14-/m0/s1