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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C26H27N5OS/c1-18-16-23(19(2)30(18)15-12-20-6-4-3-5-7-20)24(32)17-33-26-29-28-25(31(26)22-8-9-22)21-10-13-27-14-11-21/h3-7,10-11,13-14,16,22H,8-9,12,15,17H2,1-2H3