3-nitro-4-(phenylmethyl)-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine

Systemtic Name: 3-nitro-4-(phenylmethyl)-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine Openeye Name: 4-benzyl-3-nitro-N-[2-(2-pyridylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine CAS Name: 3-nitro-4-(phenylmethyl)-N-[2-(2-pyridinylmethylthio)ethyl]-1H-pyrrol-2-amine IUPAC Name: 4-benzyl-3-nitro-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine Traditional Name: (4-benzyl-3-nitro-1H-pyrrol-2-yl)-[2-(2-pyridylmethylthio)ethyl]amine Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CNC(=C2[N+](=O)[O-])NCCSCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CNC(=C2[N+](=O)[O-])NCCSCC3=CC=CC=N3

InChI

InChI=1S/C19H20N4O2S/c24-23(25)18-16(12-15-6-2-1-3-7-15)13-22-19(18)21-10-11-26-14-17-8-4-5-9-20-17/h1-9,13,21-22H,10-12,14H2