2-[[5-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(7-bromo-2-oxo-chromen-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(7-bromo-2-oxo-1-benzopyran-4-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-[(7-bromo-2-oxochromen-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(7-bromo-2-keto-chromen-4-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C17H16BrN3O3S3 MolecularWeight: 486.42624

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C17H16BrN3O3S3/c1-2-5-19-14(22)9-26-17-21-20-16(27-17)25-8-10-6-15(23)24-13-7-11(18)3-4-12(10)13/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,22)