3-[3-(aminomethyl)-2-azanyl-3-methyl-4-(4-nitrophenyl)butyl]-1H-pyridine-2-thione

Systemtic Name: 3-[3-(aminomethyl)-2-azanyl-3-methyl-4-(4-nitrophenyl)butyl]-1H-pyridine-2-thione Openeye Name: 3-[2-amino-3-(aminomethyl)-3-methyl-4-(4-nitrophenyl)butyl]-1H-pyridine-2-thione CAS Name: 3-[2-amino-3-(aminomethyl)-3-methyl-4-(4-nitrophenyl)butyl]-1H-pyridine-2-thione IUPAC Name: 3-[2-amino-3-(aminomethyl)-3-methyl-4-(4-nitrophenyl)butyl]-1H-pyridine-2-thione Traditional Name: 3-[2-amino-3-(aminomethyl)-3-methyl-4-(4-nitrophenyl)butyl]-1H-pyridine-2-thione Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(CN)C(CC2=CC=CNC2=S)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(CN)C(CC2=CC=CNC2=S)N

InChI

InChI=1S/C17H22N4O2S/c1-17(11-18,10-12-4-6-14(7-5-12)21(22)23)15(19)9-13-3-2-8-20-16(13)24/h2-8,15H,9-11,18-19H2,1H3,(H,20,24)