5-[[4-[(4-bromophenyl)amino]phenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[4-[(4-bromophenyl)amino]phenyl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-[4-(4-bromoanilino)anilino]-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-[4-(4-bromoanilino)anilino]-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-[4-(4-bromoanilino)anilino]-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-[4-(4-bromoanilino)anilino]-3-keto-4-isothiazoline-4-carbonitrile Formula: C16H11BrN4OS MolecularWeight: 387.25374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC=C(C=C2)Br)NC3=C(C(=O)NS3)C#N

Isomeric SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)Br)NC3=C(C(=O)NS3)C#N

InChI

InChI=1S/C16H11BrN4OS/c17-10-1-3-11(4-2-10)19-12-5-7-13(8-6-12)20-16-14(9-18)15(22)21-23-16/h1-8,19-20H,(H,21,22)