5-tert-butyl-3-(4-chloranyl-3-prop-2-ynoxy-phenyl)-1,3,4-thiadiazol-2-one

Systemtic Name: 5-tert-butyl-3-(4-chloranyl-3-prop-2-ynoxy-phenyl)-1,3,4-thiadiazol-2-one Openeye Name: 5-tert-butyl-3-(4-chloro-3-prop-2-ynoxy-phenyl)-1,3,4-thiadiazol-2-one CAS Name: 5-tert-butyl-3-(4-chloro-3-prop-2-ynoxyphenyl)-1,3,4-thiadiazol-2-one IUPAC Name: 5-tert-butyl-3-(4-chloro-3-prop-2-ynoxyphenyl)-1,3,4-thiadiazol-2-one Traditional Name: 5-tert-butyl-3-(4-chloro-3-propargyloxy-phenyl)-1,3,4-thiadiazol-2-one Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)S1)C2=CC(=C(C=C2)Cl)OCC#C

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)S1)C2=CC(=C(C=C2)Cl)OCC#C

InChI

InChI=1S/C15H15ClN2O2S/c1-5-8-20-12-9-10(6-7-11(12)16)18-14(19)21-13(17-18)15(2,3)4/h1,6-7,9H,8H2,2-4H3