3-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4OS/c1-2-30-23-13-11-22(12-14-23)29-24(16-19-7-4-3-5-8-19)27-28-25(29)31-18-21-10-6-9-20(15-21)17-26/h3-15H,2,16,18H2,1H3