N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C21H18N6O6S2 MolecularWeight: 514.53422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O6S2/c1-33-20-13-11-18(24-25-20)26-35(31,32)17-9-5-15(6-10-17)22-21(34)23-19(28)12-4-14-2-7-16(8-3-14)27(29)30/h2-13H,1H3,(H,24,26)(H2,22,23,28,34)