4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H23ClN4S MolecularWeight: 410.96282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN4S/c1-2-3-4-5-14-27-21(19-10-12-20(23)13-11-19)25-26-22(27)28-16-18-8-6-17(15-24)7-9-18/h6-13H,2-5,14,16H2,1H3