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

Systemtic Name: 3-(4-cyclopentyloxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[4-(cyclopentoxy)phenyl]-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-cyclopentyloxyphenyl)-5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-cyclopentyloxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[4-(cyclopentoxy)phenyl]-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C24H27N3OS/c1-3-15-27-23(20-11-13-22(14-12-20)28-21-9-4-5-10-21)25-26-24(27)29-17-19-8-6-7-18(2)16-19/h3,6-8,11-14,16,21H,1,4-5,9-10,15,17H2,2H3