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

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C19H21ClN4O2S/c1-5-24-11(2)8-14(12(24)3)16(25)10-27-19-21-18(22-23-19)15-9-13(20)6-7-17(15)26-4/h6-9H,5,10H2,1-4H3,(H,21,22,23)