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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1C=NC=N1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(C(=O)N1C=NC=N1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-14(2,3)12(13(19)18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12H,1-3H3