2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H20Cl2N4S MolecularWeight: 443.392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N4S/c23-17-10-11-19(20(24)12-17)21-26-27-22(28(21)18-8-2-1-3-9-18)29-14-16-7-5-4-6-15(16)13-25/h4-7,10-12,18H,1-3,8-9,14H2