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

Systemtic Name: 4-tert-butyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-tert-butylbenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-tert-butyl-benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-15-22-23-20(27-14-16-8-6-5-7-9-16)25(15)24-19(26)17-10-12-18(13-11-17)21(2,3)4/h5-13H,14H2,1-4H3,(H,24,26)