4-(2-bromanyl-4-ethyl-phenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-(2-bromanyl-4-ethyl-phenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-ethyl-phenoxy)-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-(2-bromo-4-ethylphenoxy)-N-[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-(2-bromo-4-ethylphenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=NN=C(S2)C3=CN=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=NN=C(S2)C3=CN=CC=C3)Br

InChI

InChI=1S/C19H19BrN4O2S/c1-2-13-7-8-16(15(20)11-13)26-10-4-6-17(25)22-19-24-23-18(27-19)14-5-3-9-21-12-14/h3,5,7-9,11-12H,2,4,6,10H2,1H3,(H,22,24,25)