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

Systemtic Name: 2-[(4-cyanophenyl)-(1,2-thiazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-cyanophenyl)-isothiazol-5-yl-methyl]benzonitrile CAS Name: 2-[(4-cyanophenyl)-(5-isothiazolyl)methyl]benzonitrile IUPAC Name: 2-[(4-cyanophenyl)-(1,2-thiazol-5-yl)methyl]benzonitrile Traditional Name: 2-[(4-cyanophenyl)-isothiazol-5-yl-methyl]benzonitrile Formula: C18H11N3S MolecularWeight: 301.36504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N3S/c19-11-13-5-7-14(8-6-13)18(17-9-10-21-22-17)16-4-2-1-3-15(16)12-20/h1-10,18H