1,5-dimethyl-4-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]-2-phenyl-3-pyrazolin-3-one Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NN=C(CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NN=C(CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3S/c1-13-18(19(27)25(24(13)2)15-6-4-3-5-7-15)21-20-23-22-17(12-30-20)14-8-10-16(11-9-14)26(28)29/h3-11H,12H2,1-2H3,(H,21,23)