2-[[5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(2-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-ethanone Formula: C17H13N3O3S3 MolecularWeight: 403.49842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S3/c21-15(12-6-2-1-3-7-12)11-25-17-19-18-16(26-17)24-10-13-8-4-5-9-14(13)20(22)23/h1-9H,10-11H2