N-butan-2-yl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-butan-2-yl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-sec-butyl-oxazole-4-carboxamide CAS Name: N-butan-2-yl-2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxazolecarboxamide IUPAC Name: N-butan-2-yl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-N-sec-butyl-oxazole-4-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)NC(=O)C1=COC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-3-16(2)24-22(29)19-14-30-20(25-19)15-31-23-27-26-21(17-10-6-4-7-11-17)28(23)18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3,(H,24,29)