N-[4-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide

Systemtic Name: N-[4-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C18H21N5O2S2/c1-3-4-10-22-16(25)20-21-18(22)27-12-14-11-26-17(19-14)23(13(2)24)15-8-6-5-7-9-15/h5-9,11H,3-4,10,12H2,1-2H3,(H,20,25)