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

Systemtic Name: 4-tert-butyl-N-[4-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-(5-acetonylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[4-[4-methyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[4-methyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[5-(acetonylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-tert-butyl-benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N4O2S/c1-15(28)14-30-22-26-25-20(27(22)5)16-8-12-19(13-9-16)24-21(29)17-6-10-18(11-7-17)23(2,3)4/h6-13H,14H2,1-5H3,(H,24,29)