3-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-methylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H19N3O2S/c1-16-7-9-17(10-8-16)14-29-23-25-24-22(26(23)19-5-3-2-4-6-19)18-11-12-20-21(13-18)28-15-27-20/h2-13H,14-15H2,1H3