2-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O3S/c1-13-10-17(22-21-13)19-23-24-20(25(19)15-7-3-2-4-8-15)30-12-18(27)14-6-5-9-16(11-14)26(28)29/h2-11H,12H2,1H3,(H,21,22)