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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1H-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1H-1,2,4-triazole Traditional Name: 5-phenyl-3-(piperonylthio)-1H-1,2,4-triazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C16H13N3O2S/c1-2-4-12(5-3-1)15-17-16(19-18-15)22-9-11-6-7-13-14(8-11)21-10-20-13/h1-8H,9-10H2,(H,17,18,19)