2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C17H21ClN4O2S MolecularWeight: 380.89224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2C)SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2C)SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C17H21ClN4O2S/c1-12-9-13(5-6-14(12)18)24-10-15-19-20-17(21(15)2)25-11-16(23)22-7-3-4-8-22/h5-6,9H,3-4,7-8,10-11H2,1-2H3