4-[[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thio]methyl]benzonitrile Formula: C21H15BrN2OS MolecularWeight: 423.3256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC=C2C=C(C=CC2=O)Br)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)NC=C2C=C(C=CC2=O)Br)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15BrN2OS/c22-18-9-10-20(25)17(11-18)13-24-19-3-1-2-4-21(19)26-14-16-7-5-15(12-23)6-8-16/h1-11,13,24H,14H2