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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(CS)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O2S/c1-14(2,7-21)12(19)13(18-9-16-8-17-18)20-11-5-3-10(15)4-6-11/h3-6,8-9,13,21H,7H2,1-2H3