N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-chloro-4-nitro-benzamide Formula: C13H11ClN4O4S2 MolecularWeight: 386.83384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SCC(=O)N

InChI

InChI=1S/C13H11ClN4O4S2/c1-6-12(23-5-10(15)19)24-13(16-6)17-11(20)8-3-2-7(18(21)22)4-9(8)14/h2-4H,5H2,1H3,(H2,15,19)(H,16,17,20)