2-[2-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylthio]methyl]benzonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCCSCC2=CC=CC=C2C#N)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCCSCC2=CC=CC=C2C#N)C(=O)C=C1

InChI

InChI=1S/C18H18N2O2S/c1-22-17-6-7-18(21)16(10-17)12-20-8-9-23-13-15-5-3-2-4-14(15)11-19/h2-7,10,12,20H,8-9,13H2,1H3