2-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]phenyl]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O2S/c1-13(2)20(28)23-17-7-5-15(6-8-17)18(27)14(3)29-21-25-24-19(26(21)4)16-9-11-22-12-10-16/h5-14H,1-4H3,(H,23,28)