4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1,2,4-triazole Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCO4)SC5=C(N=CN5C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCO4)SC5=C(N=CN5C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4S/c1-23(2,3)15-7-5-14(6-8-15)19-25-26-22(34-21-20(29(30)31)24-12-27(21)4)28(19)16-9-10-17-18(11-16)33-13-32-17/h5-12H,13H2,1-4H3