3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-6-nitro-4-phenyl-carbostyril Formula: C24H18N6O3S MolecularWeight: 470.50312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C24H18N6O3S/c1-2-29-22(16-10-12-25-13-11-16)27-28-24(29)34-21-20(15-6-4-3-5-7-15)18-14-17(30(32)33)8-9-19(18)26-23(21)31/h3-14H,2H2,1H3,(H,26,31)