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

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-(2-benzyloxy-5-bromo-anilino)-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-(5-bromo-2-phenylmethoxyanilino)-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-(5-bromo-2-phenylmethoxyanilino)-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-(2-benzoxy-5-bromo-anilino)-3-keto-4-isothiazoline-4-carbonitrile Formula: C17H12BrN3O2S MolecularWeight: 402.26508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)NC3=C(C(=O)NS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)NC3=C(C(=O)NS3)C#N

InChI

InChI=1S/C17H12BrN3O2S/c18-12-6-7-15(23-10-11-4-2-1-3-5-11)14(8-12)20-17-13(9-19)16(22)21-24-17/h1-8,20H,10H2,(H,21,22)