N-(2,4-dimethylphenyl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H23N3O3S/c1-17-7-12-22(18(2)13-17)26-25(29)16-32-24-15-27(23-6-4-3-5-21(23)24)14-19-8-10-20(11-9-19)28(30)31/h3-13,15H,14,16H2,1-2H3,(H,26,29)