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

Systemtic Name: 3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C23H18N4S MolecularWeight: 382.48082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H18N4S/c24-16-19-10-7-11-20(14-19)17-28-23-26-25-22(15-18-8-3-1-4-9-18)27(23)21-12-5-2-6-13-21/h1-14H,15,17H2