3-[(4-chlorophenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(2-cyclohexylethyl)-4-methyl-1,2,4-triazole Formula: C18H24ClN3S MolecularWeight: 349.92126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CCC3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CCC3CCCCC3

InChI

InChI=1S/C18H24ClN3S/c1-22-17(12-9-14-5-3-2-4-6-14)20-21-18(22)23-13-15-7-10-16(19)11-8-15/h7-8,10-11,14H,2-6,9,12-13H2,1H3