3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile

Systemtic Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile Openeye Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanenitrile IUPAC Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile Traditional Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C18H20Cl2N4S MolecularWeight: 395.3492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1C2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CC(CSC1=NN=C(N1C2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C18H20Cl2N4S/c1-12(10-21)11-25-18-23-22-17(15-8-7-13(19)9-16(15)20)24(18)14-5-3-2-4-6-14/h7-9,12,14H,2-6,11H2,1H3