2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-yl-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-pyridin-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2,5-dimethyl-1-(2-pyridyl)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-(2-pyridinyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C23H22N6OS/c1-15-13-19(16(2)28(15)21-5-3-4-10-25-21)20(30)14-31-23-27-26-22(29(23)18-6-7-18)17-8-11-24-12-9-17/h3-5,8-13,18H,6-7,14H2,1-2H3