N-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-3-nitro-4-phenyl-1H-pyrrol-2-amine

Systemtic Name: N-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-3-nitro-4-phenyl-1H-pyrrol-2-amine Openeye Name: N-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-3-nitro-4-phenyl-1H-pyrrol-2-amine CAS Name: N-[2-[1-(1H-imidazol-5-yl)ethylthio]ethyl]-3-nitro-4-phenyl-1H-pyrrol-2-amine IUPAC Name: N-[2-[1-(1H-imidazol-5-yl)ethylsulfanyl]ethyl]-3-nitro-4-phenyl-1H-pyrrol-2-amine Traditional Name: 2-[1-(1H-imidazol-5-yl)ethylthio]ethyl-(3-nitro-4-phenyl-1H-pyrrol-2-yl)amine Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)SCCNC2=C(C(=CN2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CN=CN1)SCCNC2=C(C(=CN2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O2S/c1-12(15-10-18-11-21-15)25-8-7-19-17-16(22(23)24)14(9-20-17)13-5-3-2-4-6-13/h2-6,9-12,19-20H,7-8H2,1H3,(H,18,21)