3-[2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]sulfanylpropanenitrile

Systemtic Name: 3-[2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]sulfanylpropanenitrile Openeye Name: 3-[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]sulfanylpropanenitrile CAS Name: 3-[[2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]phenyl]thio]propanenitrile IUPAC Name: 3-[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]sulfanylpropanenitrile Traditional Name: 3-[[2-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thio]propionitrile Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC=C2C=CC=CC2=O)SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)N/C=C/2\C=CC=CC2=O)SCCC#N

InChI

InChI=1S/C16H14N2OS/c17-10-5-11-20-16-9-4-2-7-14(16)18-12-13-6-1-3-8-15(13)19/h1-4,6-9,12,18H,5,11H2/b13-12+