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

Systemtic Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-isopropylphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-[(4-chlorophenyl)thio]-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-[(4-chlorophenyl)thio]-1-p-cumenyl-3-pyrroline-2,5-quinone Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C25H27ClN2O2S/c1-17(2)18-7-11-20(12-8-18)28-24(29)22(27-15-5-3-4-6-16-27)23(25(28)30)31-21-13-9-19(26)10-14-21/h7-14,17H,3-6,15-16H2,1-2H3