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

Systemtic Name: 3-oxidanylidene-5-[[4-(phenylmethyl)phenyl]amino]-1,2-thiazole-4-carbonitrile Openeye Name: 5-(4-benzylanilino)-3-oxo-isothiazole-4-carbonitrile CAS Name: 3-oxo-5-[4-(phenylmethyl)anilino]-4-isothiazolecarbonitrile IUPAC Name: 5-(4-benzylanilino)-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-(4-benzylanilino)-3-keto-4-isothiazoline-4-carbonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N

InChI

InChI=1S/C17H13N3OS/c18-11-15-16(21)20-22-17(15)19-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,19H,10H2,(H,20,21)