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

Systemtic Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(3-methoxyphenyl)-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=CC(=C1)N2C=NN=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CC=C(C=C3)C#N

InChI

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