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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole Traditional Name: 4-isobutyl-3-(4-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N3O3S/c1-14(2)11-24-20(16-5-7-17(25-3)8-6-16)22-23-21(24)28-12-15-4-9-18-19(10-15)27-13-26-18/h4-10,14H,11-13H2,1-3H3