3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 4-isopropyl-3-(4-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N3O3S/c1-13(2)23-19(15-5-7-16(24-3)8-6-15)21-22-20(23)27-11-14-4-9-17-18(10-14)26-12-25-17/h4-10,13H,11-12H2,1-3H3