4-[(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(6-amino-3,5-dicyano-2-pyridyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(6-amino-3,5-dicyano-2-pyridinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(6-amino-3,5-dicyano-2-pyridyl)thio]methyl]-3-nitro-benzamide Formula: C15H10N6O3S MolecularWeight: 354.3433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C15H10N6O3S/c16-5-10-3-11(6-17)15(20-13(10)18)25-7-9-2-1-8(14(19)22)4-12(9)21(23)24/h1-4H,7H2,(H2,18,20)(H2,19,22)