2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]methyl]thiazole Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S2/c1-26-20(10-7-15-5-3-2-4-6-15)24-25-22(26)30-13-17-12-29-21(23-17)16-8-9-18-19(11-16)28-14-27-18/h2-6,8-9,11-12H,7,10,13-14H2,1H3