(2S)-N-(4-methylphenyl)-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C3C=CC=CC3=O)NN2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=C3C=CC=CC3=O)NN2

InChI

InChI=1S/C18H18N4O2S/c1-11-7-9-13(10-8-11)19-17(24)12(2)25-18-20-16(21-22-18)14-5-3-4-6-15(14)23/h3-10,12,21H,1-2H3,(H,19,24)(H,20,22)/t12-/m0/s1