2-[3-(3-methylphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[(2-keto-2-piperidino-ethyl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)N3CCCCC3

InChI

InChI=1S/C18H23N5O2S/c1-13-6-5-7-14(10-13)17-20-21-18(23(17)11-15(19)24)26-12-16(25)22-8-3-2-4-9-22/h5-7,10H,2-4,8-9,11-12H2,1H3,(H2,19,24)