3-cyclohexyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclohexyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-cyclohexyl-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclohexyl-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclohexyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C19H25N3S MolecularWeight: 327.4869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C19H25N3S/c1-3-13-22-18(16-10-5-4-6-11-16)20-21-19(22)23-14-17-12-8-7-9-15(17)2/h3,7-9,12,16H,1,4-6,10-11,13-14H2,2H3