3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]methyl]-N-methyl-benzamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S/c1-26-24(32)20-12-8-9-18(15-20)16-27-22(31)17-33-25-29-28-23(19-10-4-2-5-11-19)30(25)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,26,32)(H,27,31)