1-(4-chloranylphenoxy)-3,3-dimethyl-1-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butan-2-one

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butan-2-one Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(3-thioxo-1H-1,2,4-triazol-2-yl)butan-2-one CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)-2-butanone IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)butan-2-one Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(3-thioxo-1H-1,2,4-triazol-2-yl)butan-2-one Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C(=S)N=CN1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(N1C(=S)N=CN1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-14(2,3)11(19)12(18-13(21)16-8-17-18)20-10-6-4-9(15)5-7-10/h4-8,12H,1-3H3,(H,16,17,21)