3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-phenyl-1,3,4-thiadiazol-2-one

Systemtic Name: 3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-phenyl-1,3,4-thiadiazol-2-one Openeye Name: 3-[4-(2,6-dimethyl-1-piperidyl)but-2-ynyl]-5-phenyl-1,3,4-thiadiazol-2-one CAS Name: 3-[4-(2,6-dimethyl-1-piperidinyl)but-2-ynyl]-5-phenyl-1,3,4-thiadiazol-2-one IUPAC Name: 3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-phenyl-1,3,4-thiadiazol-2-one Traditional Name: 3-[4-(2,6-dimethylpiperidino)but-2-ynyl]-5-phenyl-1,3,4-thiadiazol-2-one Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC#CCN2C(=O)SC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCCC(N1CC#CCN2C(=O)SC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H23N3OS/c1-15-9-8-10-16(2)21(15)13-6-7-14-22-19(23)24-18(20-22)17-11-4-3-5-12-17/h3-5,11-12,15-16H,8-10,13-14H2,1-2H3