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

Systemtic Name: 2-methyl-2-[(4-nitrophenyl)methyl]-4-[2-(phenylmethylsulfanyl)pyridin-3-yl]butane-1,3-diamine Openeye Name: 4-(2-benzylsulfanyl-3-pyridyl)-2-methyl-2-[(4-nitrophenyl)methyl]butane-1,3-diamine CAS Name: 2-methyl-2-[(4-nitrophenyl)methyl]-4-[2-(phenylmethylthio)-3-pyridinyl]butane-1,3-diamine IUPAC Name: 4-(2-benzylsulfanylpyridin-3-yl)-2-methyl-2-[(4-nitrophenyl)methyl]butane-1,3-diamine Traditional Name: [3-amino-4-[2-(benzylthio)-3-pyridyl]-2-methyl-2-(4-nitrobenzyl)butyl]amine Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(CN)C(CC2=C(N=CC=C2)SCC3=CC=CC=C3)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(CN)C(CC2=C(N=CC=C2)SCC3=CC=CC=C3)N

InChI

InChI=1S/C24H28N4O2S/c1-24(17-25,15-18-9-11-21(12-10-18)28(29)30)22(26)14-20-8-5-13-27-23(20)31-16-19-6-3-2-4-7-19/h2-13,22H,14-17,25-26H2,1H3