3-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbonyl]-1H-pyridazin-6-one Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C19H17N5O4S/c25-17-6-5-14(21-22-17)19(26)23-9-7-12(8-10-23)18-20-15(11-29-18)13-3-1-2-4-16(13)24(27)28/h1-6,11-12H,7-10H2,(H,22,25)