2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]benzamide

Systemtic Name: 2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-N-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C24H18N4O4S3 MolecularWeight: 522.61912

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O4S3/c1-33-20-12-11-16(13-19(20)28(31)32)21(29)17-9-5-6-10-18(17)22(30)25-23-26-24(27-35-23)34-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,26,27,30)