3-bromanyl-5-(4-nitrophenyl)sulfanyl-N-propyl-aniline

Systemtic Name: 3-bromanyl-5-(4-nitrophenyl)sulfanyl-N-propyl-aniline Openeye Name: 3-bromo-5-(4-nitrophenyl)sulfanyl-N-propyl-aniline CAS Name: 3-bromo-5-[(4-nitrophenyl)thio]-N-propylaniline IUPAC Name: 3-bromo-5-(4-nitrophenyl)sulfanyl-N-propylaniline Traditional Name: [3-bromo-5-[(4-nitrophenyl)thio]phenyl]-propyl-amine Formula: C15H15BrN2O2S MolecularWeight: 367.2608

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=CC(=C1)Br)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=CC(=CC(=C1)Br)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15BrN2O2S/c1-2-7-17-12-8-11(16)9-15(10-12)21-14-5-3-13(4-6-14)18(19)20/h3-6,8-10,17H,2,7H2,1H3