4-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H20N4O5S/c1-31-20-10-8-19(28(29)30)12-18(20)14-34-24-26-25-23(17-5-3-2-4-6-17)27(24)13-16-7-9-21-22(11-16)33-15-32-21/h2-12H,13-15H2,1H3