4-tert-butyl-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O2S/c1-21(2,3)16-7-5-15(6-8-16)19(28)23-17(27)13-29-20-25-24-18(26(20)4)14-9-11-22-12-10-14/h5-12H,13H2,1-4H3,(H,23,27,28)