2-chloranyl-N-[3-[4-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[4-methyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: 2-chloro-N-[3-[4-methyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: 2-chloro-N-[3-[4-methyl-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 2-chloro-N-[3-[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: 2-chloro-N-[3-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN5O2S/c1-27-20(25-26-22(27)31-14-19(29)28-11-4-5-12-28)15-7-6-8-16(13-15)24-21(30)17-9-2-3-10-18(17)23/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,24,30)