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

Systemtic Name: 4-chloranyl-3-nitro-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitro-benzamide CAS Name: N-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitro-benzamide Formula: C17H12ClN5O4S2 MolecularWeight: 449.89128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O4S2/c18-12-7-6-10(8-13(12)23(26)27)15(25)20-16-21-22-17(29-16)28-9-14(24)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,24)(H,20,21,25)