3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O3S/c1-2-26-14-9-7-13(8-10-14)23-19(24)11-17(20(23)25)27-12-18-21-15-5-3-4-6-16(15)22-18/h3-10,17H,2,11-12H2,1H3,(H,21,22)