N-methyl-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-methyl-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-methyl-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2CC=C

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2CC=C

InChI

InChI=1S/C20H20N4O2S/c1-3-13-24-19(16-11-7-8-12-17(16)25)21-22-20(24)27-14-18(26)23(2)15-9-5-4-6-10-15/h3-12,21H,1,13-14H2,2H3