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

Systemtic Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-thienyl)oxazole CAS Name: 4-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(2-thienyl)oxazole Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=COC(=N2)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=COC(=N2)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O2S2/c1-3-4-11-25-19(15-7-9-17(26-2)10-8-15)23-24-21(25)29-14-16-13-27-20(22-16)18-6-5-12-28-18/h5-10,12-13H,3-4,11,14H2,1-2H3