3-(1,3-benzodioxol-5-yl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methylphenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[2-(4-methylphenoxy)ethylthio]-4-phenyl-1,2,4-triazole Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O3S/c1-17-7-10-20(11-8-17)28-13-14-31-24-26-25-23(27(24)19-5-3-2-4-6-19)18-9-12-21-22(15-18)30-16-29-21/h2-12,15H,13-14,16H2,1H3