N-butyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-butyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole-4-carboxamide Openeye Name: N-butyl-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]oxazole-4-carboxamide CAS Name: N-butyl-2-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-oxazolecarboxamide IUPAC Name: N-butyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole-4-carboxamide Traditional Name: N-butyl-2-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]oxazole-4-carboxamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCCNC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N5O2S2/c1-2-3-11-22-20(27)16-13-28-18(23-16)14-30-21-25-24-19(17-10-7-12-29-17)26(21)15-8-5-4-6-9-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,27)