3-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butan-2-one

Systemtic Name: 3-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butan-2-one Openeye Name: 3-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butan-2-one CAS Name: 3-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)-2-butanone IUPAC Name: 3-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butan-2-one Traditional Name: 3-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butan-2-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)C1(NN=C(S1)C2=CC=CC=C2)C

Isomeric SMILES

CC(C(=O)C)C1(NN=C(S1)C2=CC=CC=C2)C

InChI

InChI=1S/C13H16N2OS/c1-9(10(2)16)13(3)15-14-12(17-13)11-7-5-4-6-8-11/h4-9,15H,1-3H3