3,4-dimethyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazole-5-carboxamide

Systemtic Name: 3,4-dimethyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazole-5-carboxamide Openeye Name: 3,4-dimethyl-N-[(E)-(3-nitrophenyl)methyleneamino]-2-thioxo-thiazole-5-carboxamide CAS Name: 3,4-dimethyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-5-thiazolecarboxamide IUPAC Name: 3,4-dimethyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazole-5-carboxamide Traditional Name: 3,4-dimethyl-N-[(E)-(3-nitrobenzylidene)amino]-2-thioxo-4-thiazoline-5-carboxamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=S)N1C)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=S)N1C)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S2/c1-8-11(22-13(21)16(8)2)12(18)15-14-7-9-4-3-5-10(6-9)17(19)20/h3-7H,1-2H3,(H,15,18)/b14-7+