N-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H27N5O2S/c1-16-9-8-10-17(13-16)21(30)24-14-19-26-27-22(28(19)18-11-6-5-7-12-18)31-15-20(29)25-23(2,3)4/h5-13H,14-15H2,1-4H3,(H,24,30)(H,25,29)