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

Systemtic Name: 4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-3-4-9-21-15(24)19-20-16(21)25-10-13(22)18-12-7-5-11(6-8-12)14(23)17-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,23)(H,18,22)(H,19,24)