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

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

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])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(14)4-9(8)18(21)22/h2-4H,5H2,1H3,(H2,15,19)(H,16,17,20)