N-[2-(isoquinolin-1-ylmethylsulfanyl)ethyl]-3-nitro-1H-pyrrol-2-amine

Systemtic Name: N-[2-(isoquinolin-1-ylmethylsulfanyl)ethyl]-3-nitro-1H-pyrrol-2-amine Openeye Name: N-[2-(1-isoquinolylmethylsulfanyl)ethyl]-3-nitro-1H-pyrrol-2-amine CAS Name: N-[2-(1-isoquinolinylmethylthio)ethyl]-3-nitro-1H-pyrrol-2-amine IUPAC Name: N-[2-(isoquinolin-1-ylmethylsulfanyl)ethyl]-3-nitro-1H-pyrrol-2-amine Traditional Name: 2-(1-isoquinolylmethylthio)ethyl-(3-nitro-1H-pyrrol-2-yl)amine Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CSCCNC3=C(C=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CSCCNC3=C(C=CN3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O2S/c21-20(22)15-6-8-18-16(15)19-9-10-23-11-14-13-4-2-1-3-12(13)5-7-17-14/h1-8,18-19H,9-11H2