4,5,6-trimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O4S/c1-13-14(2)19(20(22)28)21(23-15(13)3)31-12-18(27)25-10-8-24(9-11-25)16-6-4-5-7-17(16)26(29)30/h4-7H,8-12H2,1-3H3,(H2,22,28)