5-nitro-6-(4-phenyl-1-sulfanyl-butoxy)-1H-quinolin-2-one

Systemtic Name: 5-nitro-6-(4-phenyl-1-sulfanyl-butoxy)-1H-quinolin-2-one Openeye Name: 5-nitro-6-(4-phenyl-1-sulfanyl-butoxy)-1H-quinolin-2-one CAS Name: 6-(1-mercapto-4-phenylbutoxy)-5-nitro-1H-quinolin-2-one IUPAC Name: 5-nitro-6-(4-phenyl-1-sulfanylbutoxy)-1H-quinolin-2-one Traditional Name: 6-(1-mercapto-4-phenyl-butoxy)-5-nitro-carbostyril Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(OC2=C(C3=C(C=C2)NC(=O)C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C=C1)CCCC(OC2=C(C3=C(C=C2)NC(=O)C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H18N2O4S/c22-17-12-9-14-15(20-17)10-11-16(19(14)21(23)24)25-18(26)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,18,26H,4,7-8H2,(H,20,22)