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

Systemtic Name: 3-chloranyl-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-chloro-4-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-chloro-4-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-chloro-4-[[[5-(4-methoxyphenyl)-4-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=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)C#N)Cl

InChI

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