3-[4-[2-(4-methylphenyl)phenyl]-1-oxidanylidene-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile

Systemtic Name: 3-[4-[2-(4-methylphenyl)phenyl]-1-oxidanylidene-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile Openeye Name: 3-[1-oxo-2-phenyl-4-[2-(p-tolyl)phenyl]-1,2,3,5-thiatriazol-5-yl]propanenitrile CAS Name: 3-[4-[2-(4-methylphenyl)phenyl]-1-oxo-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile IUPAC Name: 3-[4-[2-(4-methylphenyl)phenyl]-1-oxo-2-phenyl-1,2,3,5-thiatriazol-5-yl]propanenitrile Traditional Name: 3-[1-keto-2-phenyl-4-[2-(p-tolyl)phenyl]-1,2,3,5-thiatriazol-5-yl]propionitrile Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(S(=O)N3CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(S(=O)N3CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4OS/c1-18-12-14-19(15-13-18)21-10-5-6-11-22(21)23-25-27(20-8-3-2-4-9-20)29(28)26(23)17-7-16-24/h2-6,8-15H,7,17H2,1H3