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

Systemtic Name: 3-(2-cyclohexylethyl)-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-cyclohexylethyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-cyclohexylethyl)-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-cyclohexylethyl)-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-cyclohexylethyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)CCC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)CCC3CCCCC3

InChI

InChI=1S/C21H29N3S/c1-3-15-24-20(14-13-18-10-5-4-6-11-18)22-23-21(24)25-16-19-12-8-7-9-17(19)2/h3,7-9,12,18H,1,4-6,10-11,13-16H2,2H3