2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-(4-nitrobenzyl)indol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c25-21(22-11-3-4-12-22)15-28-20-14-23(19-6-2-1-5-18(19)20)13-16-7-9-17(10-8-16)24(26)27/h1-2,5-10,14H,3-4,11-13,15H2