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

Systemtic Name: 4-tert-butyl-N-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-22(2,3)17-12-10-16(11-13-17)20(28)23-18(27)14-29-21-25-24-19(26(21)4)15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,23,27,28)