6-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[5-[(3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[5-[(3-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]uracil Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC(=O)NC(=O)N4

InChI

InChI=1S/C20H16N6O4S/c27-18-11-14(21-19(28)22-18)10-17-23-24-20(25(17)15-6-2-1-3-7-15)31-12-13-5-4-8-16(9-13)26(29)30/h1-9,11H,10,12H2,(H2,21,22,27,28)