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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H14N4OS/c1-22-15-8-6-12(7-9-15)16-19-17(21-20-16)23-11-14-5-3-2-4-13(14)10-18/h2-9H,11H2,1H3,(H,19,20,21)