3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-methyl-4-phenyl-5-(piperonylthio)-1,2,4-triazole Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O2S/c1-12-18-19-17(20(12)14-5-3-2-4-6-14)23-10-13-7-8-15-16(9-13)22-11-21-15/h2-9H,10-11H2,1H3