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

Systemtic Name: 2-[3-(3-methylphenyl)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(m-tolyl)-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[(2-keto-2-pyrrolidino-ethyl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC(=O)N3CCCC3

InChI

InChI=1S/C17H21N5O2S/c1-12-5-4-6-13(9-12)16-19-20-17(22(16)10-14(18)23)25-11-15(24)21-7-2-3-8-21/h4-6,9H,2-3,7-8,10-11H2,1H3,(H2,18,23)