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

Systemtic Name: 2-[[4-cyclopropyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-cyclopropyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-cyclopropyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-cyclopropyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-cyclopropyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CC3)SCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CC3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H18N4OS/c1-25-18-9-5-4-8-17(18)19-22-23-20(24(19)16-10-11-16)26-13-15-7-3-2-6-14(15)12-21/h2-9,16H,10-11,13H2,1H3