3-cyclohexyl-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-cyclohexyl-4-methyl-1,2,4-triazole CAS Name: 3-cyclohexyl-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-cyclohexyl-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-cyclohexyl-4-methyl-1,2,4-triazole Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C16H21N3S/c1-19-15(14-10-6-3-7-11-14)17-18-16(19)20-12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3