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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5OS/c1-4-11-25-20(16-7-9-22-10-8-16)23-24-21(25)28-13-19(27)18-12-14(2)26(15(18)3)17-5-6-17/h7-10,12,17H,4-6,11,13H2,1-3H3