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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C26H29N5OS/c1-4-15-31-25(22-10-13-27-14-11-22)28-29-26(31)33-18-24(32)23-17-19(2)30(20(23)3)16-12-21-8-6-5-7-9-21/h5-11,13-14,17H,4,12,15-16,18H2,1-3H3