3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14N4O4S/c1-20-16(12-4-7-14-15(8-12)25-10-24-14)18-19-17(20)26-9-11-2-5-13(6-3-11)21(22)23/h2-8H,9-10H2,1H3