3,3-dimethyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(4-phenyl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(4-phenyl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-14(2,3)12(18)9-19-13-16-15-10-17(13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3