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

Systemtic Name: 2-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylthio]methyl]benzonitrile Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2OS/c18-16-5-6-17(21)15(9-16)11-20-7-8-22-12-14-4-2-1-3-13(14)10-19/h1-6,9,11,20H,7-8,12H2