N-[4-(2,2-dimethylpropanoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(pivaloylamino)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C21H23N5O2S/c1-21(2,3)19(28)25-17-10-8-16(9-11-17)24-18(27)15-6-4-14(5-7-15)12-29-20-22-13-23-26-20/h4-11,13H,12H2,1-3H3,(H,24,27)(H,25,28)(H,22,23,26)