N-[3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]amino]propyl]-4-nitro-benzamide Formula: C13H13N5O4S2 MolecularWeight: 367.40342

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NSC(=N1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S2/c1-23-13-16-12(24-17-13)15-10(19)6-7-14-11(20)8-2-4-9(5-3-8)18(21)22/h2-5H,6-7H2,1H3,(H,14,20)(H,15,16,17,19)