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

Systemtic Name: 3-(2-cyclohexylethyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-cyclohexylethyl)-4-methyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-cyclohexylethyl)-4-methyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-cyclohexylethyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-cyclohexylethyl)-4-methyl-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C19H27N3S MolecularWeight: 329.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C)CCC3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C)CCC3CCCCC3

InChI

InChI=1S/C19H27N3S/c1-15-7-6-10-17(13-15)14-23-19-21-20-18(22(19)2)12-11-16-8-4-3-5-9-16/h6-7,10,13,16H,3-5,8-9,11-12,14H2,1-2H3