N-ethyl-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-ethyl-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-ethyl-N-phenyl-acetamide CAS Name: N-ethyl-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-ethyl-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-ethyl-N-phenyl-acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-3-14-25-20(17-12-8-9-13-18(17)26)22-23-21(25)28-15-19(27)24(4-2)16-10-6-5-7-11-16/h3,5-13,22H,1,4,14-15H2,2H3