3-(4-nitrophenyl)sulfanyl-1-propyl-isoquinoline

Systemtic Name: 3-(4-nitrophenyl)sulfanyl-1-propyl-isoquinoline Openeye Name: 3-(4-nitrophenyl)sulfanyl-1-propyl-isoquinoline CAS Name: 3-[(4-nitrophenyl)thio]-1-propylisoquinoline IUPAC Name: 3-(4-nitrophenyl)sulfanyl-1-propylisoquinoline Traditional Name: 3-[(4-nitrophenyl)thio]-1-propyl-isoquinoline Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CC2=CC=CC=C21)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=CC2=CC=CC=C21)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O2S/c1-2-5-17-16-7-4-3-6-13(16)12-18(19-17)23-15-10-8-14(9-11-15)20(21)22/h3-4,6-12H,2,5H2,1H3