[3-(4-nitrophenyl)sulfanyl-2-propyl-phenyl]methanamine

Systemtic Name: [3-(4-nitrophenyl)sulfanyl-2-propyl-phenyl]methanamine Openeye Name: [3-(4-nitrophenyl)sulfanyl-2-propyl-phenyl]methanamine CAS Name: [3-[(4-nitrophenyl)thio]-2-propylphenyl]methanamine IUPAC Name: [3-(4-nitrophenyl)sulfanyl-2-propylphenyl]methanamine Traditional Name: [3-[(4-nitrophenyl)thio]-2-propyl-benzyl]amine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1SC2=CC=C(C=C2)[N+](=O)[O-])CN

Isomeric SMILES

CCCC1=C(C=CC=C1SC2=CC=C(C=C2)[N+](=O)[O-])CN

InChI

InChI=1S/C16H18N2O2S/c1-2-4-15-12(11-17)5-3-6-16(15)21-14-9-7-13(8-10-14)18(19)20/h3,5-10H,2,4,11,17H2,1H3