3,3-dimethyl-1-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(S1)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(S1)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-20(2,3)17(24)13-26-19-23-22-18(27-19)21-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,22)