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

Systemtic Name: 4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C15H19N5O3S/c1-2-3-8-20-14(23)18-19-15(20)24-9-12(21)17-11-6-4-10(5-7-11)13(16)22/h4-7H,2-3,8-9H2,1H3,(H2,16,22)(H,17,21)(H,18,23)