2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC2)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C18H25N5OS/c1-3-23-16(12-19-15-8-6-14(2)7-9-15)20-21-18(23)25-13-17(24)22-10-4-5-11-22/h6-9,19H,3-5,10-13H2,1-2H3