3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)COC3=CC=CC=C3

InChI

InChI=1S/C22H24N4OS/c1-17(2)11-12-26-21(15-27-20-9-4-3-5-10-20)24-25-22(26)28-16-19-8-6-7-18(13-19)14-23/h3-10,13,17H,11-12,15-16H2,1-2H3