N-[4-(1H-imidazol-2-ylsulfanyl)-3-(methoxymethyl)quinolin-8-yl]-2-nitro-benzamide

Systemtic Name: N-[4-(1H-imidazol-2-ylsulfanyl)-3-(methoxymethyl)quinolin-8-yl]-2-nitro-benzamide Openeye Name: N-[4-(1H-imidazol-2-ylsulfanyl)-3-(methoxymethyl)-8-quinolyl]-2-nitro-benzamide CAS Name: N-[4-(1H-imidazol-2-ylthio)-3-(methoxymethyl)-8-quinolinyl]-2-nitrobenzamide IUPAC Name: N-[4-(1H-imidazol-2-ylsulfanyl)-3-(methoxymethyl)quinolin-8-yl]-2-nitrobenzamide Traditional Name: N-[4-(1H-imidazol-2-ylthio)-3-(methoxymethyl)-8-quinolyl]-2-nitro-benzamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN=C2C(=C1SC3=NC=CN3)C=CC=C2NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COCC1=CN=C2C(=C1SC3=NC=CN3)C=CC=C2NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S/c1-30-12-13-11-24-18-15(19(13)31-21-22-9-10-23-21)6-4-7-16(18)25-20(27)14-5-2-3-8-17(14)26(28)29/h2-11H,12H2,1H3,(H,22,23)(H,25,27)