N,N-diethyl-2-[4-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(o-tolylsulfanyl)piperidine-1-carbonyl]triazol-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[4-[(2-methylphenyl)thio]-1-piperidinyl]-oxomethyl]-1-triazolyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]triazol-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(o-tolylthio)piperidine-1-carbonyl]triazol-1-yl]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CCC(CC2)SC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CCC(CC2)SC3=CC=CC=C3C

InChI

InChI=1S/C21H29N5O2S/c1-4-24(5-2)20(27)15-26-14-18(22-23-26)21(28)25-12-10-17(11-13-25)29-19-9-7-6-8-16(19)3/h6-9,14,17H,4-5,10-13,15H2,1-3H3