3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenyl-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-phenylpyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenylpyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-phenyl-3-pyrroline-2,5-quinone Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O2S/c23-16-10-12-18(13-11-16)28-20-19(24-14-6-1-2-7-15-24)21(26)25(22(20)27)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-15H2