2-(1-benzothiophen-2-ylmethyl)-7-chloranyl-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-7-chloranyl-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione Openeye Name: 2-(benzothiophen-2-ylmethyl)-7-chloro-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-7-chloro-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-7-chloro-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione Traditional Name: 2-(benzothiophen-2-ylmethyl)-7-chloro-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione Formula: C20H12ClN3O3S MolecularWeight: 409.84558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CN3C(=O)C4=C(C(=O)N3)NC5=C(C4=O)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CN3C(=O)C4=C(C(=O)N3)NC5=C(C4=O)C=CC(=C5)Cl

InChI

InChI=1S/C20H12ClN3O3S/c21-11-5-6-13-14(8-11)22-17-16(18(13)25)20(27)24(23-19(17)26)9-12-7-10-3-1-2-4-15(10)28-12/h1-8H,9H2,(H,22,25)(H,23,26)