S-azanyl 4-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioate

Systemtic Name: S-azanyl 4-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioate Openeye Name: S-amino 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioate CAS Name: 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]-1-piperazinecarbothioic acid S-amino ester IUPAC Name: S-amino 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]piperazine-1-carbothioate Traditional Name: 4-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioic acid S-amino ester Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SN)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SN)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S/c1-10-8-14(23)18-19-15(10)11-2-3-12(13(9-11)22(25)26)20-4-6-21(7-5-20)16(24)27-17/h2-3,9-10H,4-8,17H2,1H3,(H,18,23)