3-(3-nitrophenyl)-5-phenyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-(3-nitrophenyl)-5-phenyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-(3-nitrophenyl)-5-phenyl-isothiazole-4-carbonitrile CAS Name: 3-(3-nitrophenyl)-5-phenyl-4-isothiazolecarbonitrile IUPAC Name: 3-(3-nitrophenyl)-5-phenyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(3-nitrophenyl)-5-phenyl-isothiazole-4-carbonitrile Formula: C16H9N3O2S MolecularWeight: 307.32656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NS2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NS2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H9N3O2S/c17-10-14-15(12-7-4-8-13(9-12)19(20)21)18-22-16(14)11-5-2-1-3-6-11/h1-9H