2-methyl-2-[(4-nitrophenyl)methyl]-4-[2-(phenylmethylsulfanyl)phenyl]butane-1,3-diamine

Systemtic Name: 2-methyl-2-[(4-nitrophenyl)methyl]-4-[2-(phenylmethylsulfanyl)phenyl]butane-1,3-diamine Openeye Name: 4-(2-benzylsulfanylphenyl)-2-methyl-2-[(4-nitrophenyl)methyl]butane-1,3-diamine CAS Name: 2-methyl-2-[(4-nitrophenyl)methyl]-4-[2-(phenylmethylthio)phenyl]butane-1,3-diamine IUPAC Name: 4-(2-benzylsulfanylphenyl)-2-methyl-2-[(4-nitrophenyl)methyl]butane-1,3-diamine Traditional Name: [3-amino-4-[2-(benzylthio)phenyl]-2-methyl-2-(4-nitrobenzyl)butyl]amine Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(CN)C(CC2=CC=CC=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(CN)C(CC2=CC=CC=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C25H29N3O2S/c1-25(18-26,16-19-11-13-22(14-12-19)28(29)30)24(27)15-21-9-5-6-10-23(21)31-17-20-7-3-2-4-8-20/h2-14,24H,15-18,26-27H2,1H3