6-bromanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-keto-chromene-3-carboxamide Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C16H14BrN3O3S2/c1-2-3-6-24-16-20-19-15(25-16)18-13(21)11-8-9-7-10(17)4-5-12(9)23-14(11)22/h4-5,7-8H,2-3,6H2,1H3,(H,18,19,21)