4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(3-cyano-4-methyl-1-pyrindan-2-yl)thio]methyl]-3-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C1CCC2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC2=C1CCC2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H16N4O3S/c1-10-13-3-2-4-15(13)21-18(14(10)8-19)26-9-12-6-5-11(17(20)23)7-16(12)22(24)25/h5-7H,2-4,9H2,1H3,(H2,20,23)