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

Systemtic Name: 2-[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H18N4OS/c1-28-20-12-10-18(11-13-20)22-25-23(27-26-22)29-15-16-6-8-17(9-7-16)21-5-3-2-4-19(21)14-24/h2-13H,15H2,1H3,(H,25,26,27)