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

Systemtic Name: 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C13H13N5O4S2 MolecularWeight: 367.40342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S2/c1-2-11-16-17-13(24-11)15-10(19)6-23-9-4-3-7(12(14)20)5-8(9)18(21)22/h3-5H,2,6H2,1H3,(H2,14,20)(H,15,17,19)