4-[[5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[[5-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile CAS Name: 4-[[5-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile IUPAC Name: 4-[[5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Traditional Name: 4-[[5-[[2-keto-2-(p-tolyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methoxy]benzonitrile Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N4O2S/c1-18-7-11-20(12-8-18)23(30)17-32-25-28-27-24(29(25)21-5-3-2-4-6-21)16-31-22-13-9-19(15-26)10-14-22/h2-14H,16-17H2,1H3