4-(5-tert-butyl-2-oxidanylidene-1,3,4-thiadiazol-3-yl)-5-chloranyl-2-prop-2-ynoxy-benzenecarbonitrile

Systemtic Name: 4-(5-tert-butyl-2-oxidanylidene-1,3,4-thiadiazol-3-yl)-5-chloranyl-2-prop-2-ynoxy-benzenecarbonitrile Openeye Name: 4-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-5-chloro-2-prop-2-ynoxy-benzonitrile CAS Name: 4-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-5-chloro-2-prop-2-ynoxybenzonitrile IUPAC Name: 4-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-5-chloro-2-prop-2-ynoxybenzonitrile Traditional Name: 4-(5-tert-butyl-2-keto-1,3,4-thiadiazol-3-yl)-5-chloro-2-propargyloxy-benzonitrile Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2S/c1-5-6-22-13-8-12(11(17)7-10(13)9-18)20-15(21)23-14(19-20)16(2,3)4/h1,7-8H,6H2,2-4H3