3-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-allyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-allyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H16N4OS/c1-2-10-23-18(16-8-3-4-9-17(16)24)21-22-19(23)25-13-15-7-5-6-14(11-15)12-20/h2-9,11,21H,1,10,13H2