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

Systemtic Name: 2-[4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-(3-methoxyphenyl)-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=CC(=C1)N2C=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

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