3-(1,3-benzodioxol-5-yl)-5-butylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-butylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-butylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(butylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-butylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(butylthio)-4-phenyl-1,2,4-triazole Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O2S/c1-2-3-11-25-19-21-20-18(22(19)15-7-5-4-6-8-15)14-9-10-16-17(12-14)24-13-23-16/h4-10,12H,2-3,11,13H2,1H3