N-[[4-butyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-butyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-butyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-3-4-14-28-20(15-24-22(30)17-10-12-19(31-2)13-11-17)26-27-23(28)32-16-21(29)25-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,24,30)(H,25,29)