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

Systemtic Name: N-cyclohexyl-2-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetamide CAS Name: N-cyclohexyl-2-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-cyclohexyl-2-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C(=NC(=N2)C3=CC=NC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C(=NC(=N2)C3=CC=NC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C21H28N6O2S/c28-18(23-17-6-2-1-3-7-17)14-27-21(30-15-19(29)26-12-4-5-13-26)24-20(25-27)16-8-10-22-11-9-16/h8-11,17H,1-7,12-15H2,(H,23,28)