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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)C3=CSN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)C3=CSN=C3

InChI

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