2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C21H17N7O5S MolecularWeight: 479.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C21H17N7O5S/c29-18-11-14(23-20(31)24-18)10-17-25-26-21(27(17)15-4-2-1-3-5-15)34-12-19(30)22-13-6-8-16(9-7-13)28(32)33/h1-9,11H,10,12H2,(H,22,30)(H2,23,24,29,31)