2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C3C=CC=CC3=O)NN=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C3C=CC=CC3=O)NN=C2SCC#N

InChI

InChI=1S/C18H16N4OS/c19-11-13-24-18-21-20-17(15-8-4-5-9-16(15)23)22(18)12-10-14-6-2-1-3-7-14/h1-9,20H,10,12-13H2