3-nitro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfanyl)aniline

Systemtic Name: 3-nitro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfanyl)aniline Openeye Name: 3-nitro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfanyl)aniline CAS Name: 3-nitro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylthio)aniline IUPAC Name: 3-nitro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfanyl)aniline Traditional Name: [3-nitro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylthio)phenyl]amine Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C(=CC=C2)SC3=C(C=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CNCC2=C1C(=CC=C2)SC3=C(C=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O2S/c16-11-4-5-15(13(8-11)18(19)20)21-14-3-1-2-10-9-17-7-6-12(10)14/h1-5,8,17H,6-7,9,16H2