1-(2-ethylpiperidin-1-yl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(2-ethylpiperidino)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2C3=CC=CC(=C3)C)C

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2C3=CC=CC(=C3)C)C

InChI

InChI=1S/C20H28N4OS/c1-5-17-10-6-7-12-23(17)19(25)15(3)26-20-22-21-16(4)24(20)18-11-8-9-14(2)13-18/h8-9,11,13,15,17H,5-7,10,12H2,1-4H3