2-(5-tert-butyl-2-oxidanylidene-1,3,4-thiadiazol-3-yl)-7-chloranyl-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 2-(5-tert-butyl-2-oxidanylidene-1,3,4-thiadiazol-3-yl)-7-chloranyl-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 2-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-7-chloro-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 2-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-7-chloro-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 2-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-7-chloro-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 2-(5-tert-butyl-2-keto-1,3,4-thiadiazol-3-yl)-7-chloro-4-propargyl-1,4-benzoxazin-3-one Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)S1)C2C(=O)N(C3=C(O2)C=C(C=C3)Cl)CC#C

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)S1)C2C(=O)N(C3=C(O2)C=C(C=C3)Cl)CC#C

InChI

InChI=1S/C17H16ClN3O3S/c1-5-8-20-11-7-6-10(18)9-12(11)24-14(13(20)22)21-16(23)25-15(19-21)17(2,3)4/h1,6-7,9,14H,8H2,2-4H3