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

Systemtic Name: 3-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylpropanenitrile Openeye Name: 3-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylpropanenitrile CAS Name: 3-[[2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thio]propanenitrile IUPAC Name: 3-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfanylpropanenitrile Traditional Name: 3-[[2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thio]propionitrile Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2OS/c17-13-6-7-15(20)12(10-13)11-19-14-4-1-2-5-16(14)21-9-3-8-18/h1-2,4-7,10-11,19H,3,9H2