2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethyl-1-piperidyl)ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,6-dimethyl-1-piperidinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,6-dimethylpiperidino)ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H26N4OS/c1-14-7-6-8-15(2)23(14)18(25)13-26-20-21-19(16-11-12-16)24(22-20)17-9-4-3-5-10-17/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3