N,N-diethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-4-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N,N-diethyl-4-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-4-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-26(4-2)20(28)16-10-12-17(13-11-16)22-18(27)14-29-21-23-19(24-25-21)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,22,27)(H,23,24,25)