1-[2-(dimethylamino)-4-(4-nitrophenyl)imino-thiet-3-yl]ethanone

Systemtic Name: 1-[2-(dimethylamino)-4-(4-nitrophenyl)imino-thiet-3-yl]ethanone Openeye Name: 1-[2-(dimethylamino)-4-(4-nitrophenyl)imino-thiet-3-yl]ethanone CAS Name: 1-[2-(dimethylamino)-4-(4-nitrophenyl)imino-3-thietyl]ethanone IUPAC Name: 1-[2-(dimethylamino)-4-(4-nitrophenyl)iminothiet-3-yl]ethanone Traditional Name: 1-[2-(dimethylamino)-4-(4-nitrophenyl)imino-thiet-3-yl]ethanone Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(SC1=NC2=CC=C(C=C2)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC(=O)C1=C(SC1=NC2=CC=C(C=C2)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C13H13N3O3S/c1-8(17)11-12(20-13(11)15(2)3)14-9-4-6-10(7-5-9)16(18)19/h4-7H,1-3H3