4-isoquinolin-5-ylsulfanyl-3-nitro-benzene-1,2-diamine

Systemtic Name: 4-isoquinolin-5-ylsulfanyl-3-nitro-benzene-1,2-diamine Openeye Name: 4-(5-isoquinolylsulfanyl)-3-nitro-benzene-1,2-diamine CAS Name: 4-(5-isoquinolinylthio)-3-nitrobenzene-1,2-diamine IUPAC Name: 4-isoquinolin-5-ylsulfanyl-3-nitrobenzene-1,2-diamine Traditional Name: [2-amino-4-(5-isoquinolylthio)-3-nitro-phenyl]amine Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C(=C(C=C3)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C(=C(C=C3)N)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c16-11-4-5-13(15(14(11)17)19(20)21)22-12-3-1-2-9-8-18-7-6-10(9)12/h1-8H,16-17H2