4-[(4-cyanophenyl)-oxidanyl-(1,2-thiazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-cyanophenyl)-oxidanyl-(1,2-thiazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-cyanophenyl)-hydroxy-isothiazol-5-yl-methyl]benzonitrile CAS Name: 4-[(4-cyanophenyl)-hydroxy-(5-isothiazolyl)methyl]benzonitrile IUPAC Name: 4-[(4-cyanophenyl)-hydroxy-(1,2-thiazol-5-yl)methyl]benzonitrile Traditional Name: 4-[(4-cyanophenyl)-hydroxy-isothiazol-5-yl-methyl]benzonitrile Formula: C18H11N3OS MolecularWeight: 317.36444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)(C3=CC=NS3)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)(C3=CC=NS3)O

InChI

InChI=1S/C18H11N3OS/c19-11-13-1-5-15(6-2-13)18(22,17-9-10-21-23-17)16-7-3-14(12-20)4-8-16/h1-10,22H