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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC=CC2=O)NN=C1C(C3=CC=CC(=C3)C#N)S

Isomeric SMILES

C=CCN1/C(=C/2\C=CC=CC2=O)/NN=C1C(C3=CC=CC(=C3)C#N)S

InChI

InChI=1S/C19H16N4OS/c1-2-10-23-18(15-8-3-4-9-16(15)24)21-22-19(23)17(25)14-7-5-6-13(11-14)12-20/h2-9,11,17,21,25H,1,10H2/b18-15+