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

Systemtic Name: 3-(2-cyclohexylethyl)-4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-cyclohexylethyl)-4-ethyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-cyclohexylethyl)-4-ethyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-cyclohexylethyl)-4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-cyclohexylethyl)-4-ethyl-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C20H29N3S MolecularWeight: 343.52936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C)CCC3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C)CCC3CCCCC3

InChI

InChI=1S/C20H29N3S/c1-3-23-19(13-12-17-9-5-4-6-10-17)21-22-20(23)24-15-18-11-7-8-16(2)14-18/h7-8,11,14,17H,3-6,9-10,12-13,15H2,1-2H3