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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]-N-(2-methoxyphenyl)benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H25N5O4S/c1-4-13-27-21(30)25-26-22(27)32-14(2)19(28)23-16-11-9-15(10-12-16)20(29)24-17-7-5-6-8-18(17)31-3/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)