4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropylsulfanyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-isobutylsulfanyl-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(isobutylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-14(2)12-26-20-22-21-19(16-6-4-3-5-7-16)23(20)11-15-8-9-17-18(10-15)25-13-24-17/h3-10,14H,11-13H2,1-2H3