[2-[3-(dimethylamino)propyl-(3-nitropyridin-2-yl)amino]phenyl]-thiophen-3-yl-methanone

Systemtic Name: [2-[3-(dimethylamino)propyl-(3-nitropyridin-2-yl)amino]phenyl]-thiophen-3-yl-methanone Openeye Name: [2-[3-(dimethylamino)propyl-(3-nitro-2-pyridyl)amino]phenyl]-(3-thienyl)methanone CAS Name: [2-[3-(dimethylamino)propyl-(3-nitro-2-pyridinyl)amino]phenyl]-(3-thiophenyl)methanone IUPAC Name: [2-[3-(dimethylamino)propyl-(3-nitropyridin-2-yl)amino]phenyl]-thiophen-3-ylmethanone Traditional Name: [2-[3-(dimethylamino)propyl-(3-nitro-2-pyridyl)amino]phenyl]-(3-thienyl)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1C(=O)C2=CSC=C2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1C(=O)C2=CSC=C2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-23(2)12-6-13-24(21-19(25(27)28)9-5-11-22-21)18-8-4-3-7-17(18)20(26)16-10-14-29-15-16/h3-5,7-11,14-15H,6,12-13H2,1-2H3