1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)C

InChI

InChI=1S/C18H21N5OS/c1-5-23-12(2)9-15(13(23)3)16(24)11-25-18-21-20-17(22(18)4)14-7-6-8-19-10-14/h6-10H,5,11H2,1-4H3