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

Systemtic Name: 2-[4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C24H20N4S MolecularWeight: 396.5074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N4S/c1-28-23(15-18-7-3-2-4-8-18)26-27-24(28)29-17-19-11-13-20(14-12-19)22-10-6-5-9-21(22)16-25/h2-14H,15,17H2,1H3