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

Systemtic Name: N,N-diethyl-3-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[(4-phenyl-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(=CC=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

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