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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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