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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC

InChI

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