4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-pyrazin-2-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-pyrazin-2-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(pyrazine-2-carbonylamino)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-[[oxo(2-pyrazinyl)methyl]hydrazo]butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[(pyrazinoylamino)carbamoyl]propyl]-3-nitro-benzamide Formula: C17H17ClN6O5S MolecularWeight: 452.87208

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=NC=CN=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=NC=CN=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O5S/c1-30-7-4-12(16(26)22-23-17(27)13-9-19-5-6-20-13)21-15(25)10-2-3-11(18)14(8-10)24(28)29/h2-3,5-6,8-9,12H,4,7H2,1H3,(H,21,25)(H,22,26)(H,23,27)