2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-methylpiperidino)ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-13-8-6-7-11-21(13)15(22)12-23-17-19-18-16(20(17)2)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11-12H2,1-2H3