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

Systemtic Name: 2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H14N4S/c18-11-14-8-4-5-9-15(14)12-22-17-19-16(20-21-17)10-13-6-2-1-3-7-13/h1-9H,10,12H2,(H,19,20,21)