1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N4O3S/c1-14-11-18(15(2)23(14)9-10-26-3)19(25)12-28-20-22-21-13-24(20)16-5-7-17(27-4)8-6-16/h5-8,11,13H,9-10,12H2,1-4H3