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

Systemtic Name: 3-oxidanylidene-5-[(4-phenyldiazenylphenyl)amino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-oxo-5-(4-phenylazoanilino)isothiazole-4-carbonitrile CAS Name: 3-oxo-5-(4-phenyldiazenylanilino)-4-isothiazolecarbonitrile IUPAC Name: 3-oxo-5-(4-phenyldiazenylanilino)-1,2-thiazole-4-carbonitrile Traditional Name: 3-keto-5-(4-phenylazoanilino)-4-isothiazoline-4-carbonitrile Formula: C16H11N5OS MolecularWeight: 321.35644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N

InChI

InChI=1S/C16H11N5OS/c17-10-14-15(22)21-23-16(14)18-11-6-8-13(9-7-11)20-19-12-4-2-1-3-5-12/h1-9,18H,(H,21,22)