2-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)sulfanyl-N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)sulfanyl-N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)sulfanyl-N'-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-[[6-methyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]thio]-N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-N'-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: N'-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[(6-methyl-2-pyrrolidino-pyrimidin-4-yl)thio]acetohydrazide Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCC2)SCC(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCC2)SCC(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4S/c1-12-8-17(21-18(20-12)23-6-2-3-7-23)29-11-16(26)22-19-10-13-9-14(24(27)28)4-5-15(13)25/h4-5,8-10,19H,2-3,6-7,11H2,1H3,(H,22,26)