1-[8-chloranyl-2-methylsulfanyl-5-nitro-4-[(phenylmethyl)amino]quinolin-3-yl]ethanone

Systemtic Name: 1-[8-chloranyl-2-methylsulfanyl-5-nitro-4-[(phenylmethyl)amino]quinolin-3-yl]ethanone Openeye Name: 1-[4-(benzylamino)-8-chloro-2-methylsulfanyl-5-nitro-3-quinolyl]ethanone CAS Name: 1-[8-chloro-2-(methylthio)-5-nitro-4-[(phenylmethyl)amino]-3-quinolinyl]ethanone IUPAC Name: 1-[4-(benzylamino)-8-chloro-2-methylsulfanyl-5-nitroquinolin-3-yl]ethanone Traditional Name: 1-[4-(benzylamino)-8-chloro-2-(methylthio)-5-nitro-3-quinolyl]ethanone Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2N=C1SC)Cl)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2N=C1SC)Cl)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O3S/c1-11(24)15-18(21-10-12-6-4-3-5-7-12)16-14(23(25)26)9-8-13(20)17(16)22-19(15)27-2/h3-9H,10H2,1-2H3,(H,21,22)