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

Systemtic Name: 4-[[4-ethyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-ethyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4OS/c1-2-22-17(15-7-9-16(23)10-8-15)20-21-18(22)24-12-14-5-3-13(11-19)4-6-14/h3-10,20H,2,12H2,1H3