4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]-3-nitro-benzamide Formula: C12H11N5O4S2 MolecularWeight: 353.37684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4S2/c1-6-15-16-12(23-6)14-10(18)5-22-9-3-2-7(11(13)19)4-8(9)17(20)21/h2-4H,5H2,1H3,(H2,13,19)(H,14,16,18)