4-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17ClN4OS MolecularWeight: 432.92528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN4OS/c1-29-21-12-11-19(13-20(21)24)28-22(18-5-3-2-4-6-18)26-27-23(28)30-15-17-9-7-16(14-25)8-10-17/h2-13H,15H2,1H3