4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-(2-thienyl)oxazole CAS Name: 4-[[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-methyl-4-[[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]methyl]-2-(2-thienyl)oxazole Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(N3CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(N3CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C25H20N4O3S2/c1-16-19(26-24(32-16)22-8-5-11-33-22)14-34-25-28-27-23(18-6-3-2-4-7-18)29(25)13-17-9-10-20-21(12-17)31-15-30-20/h2-12H,13-15H2,1H3