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

Systemtic Name: [2-[3-(dimethylamino)propyl-(3-nitropyridin-2-yl)amino]phenyl]-thiophen-2-yl-methanone Openeye Name: [2-[3-(dimethylamino)propyl-(3-nitro-2-pyridyl)amino]phenyl]-(2-thienyl)methanone CAS Name: [2-[3-(dimethylamino)propyl-(3-nitro-2-pyridinyl)amino]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[3-(dimethylamino)propyl-(3-nitropyridin-2-yl)amino]phenyl]-thiophen-2-ylmethanone Traditional Name: [2-[3-(dimethylamino)propyl-(3-nitro-2-pyridyl)amino]phenyl]-(2-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=CC=CS2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1C(=O)C2=CC=CS2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

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