N-[2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[2-[3-(o-tolylmethylsulfanyl)indol-1-yl]ethyl]benzamide CAS Name: N-[2-[3-[(2-methylphenyl)methylthio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[(2-methylbenzyl)thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O3S/c1-18-6-2-3-7-20(18)17-32-24-16-27(23-9-5-4-8-22(23)24)15-14-26-25(29)19-10-12-21(13-11-19)28(30)31/h2-13,16H,14-15,17H2,1H3,(H,26,29)