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

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C17H19N5OS/c1-11-9-14(12(2)21(11)3)15(23)10-24-17-20-19-16(22(17)4)13-5-7-18-8-6-13/h5-9H,10H2,1-4H3