4-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-13(18(27)22-16-9-7-15(8-10-16)17(21)26)29-20-24-23-19(28)25(20)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,26)(H,22,27)(H,23,28)