2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C15H17ClN4O2S MolecularWeight: 352.83908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)N3CCCC3

InChI

InChI=1S/C15H17ClN4O2S/c1-22-12-5-4-10(16)8-11(12)14-17-15(19-18-14)23-9-13(21)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18,19)