[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]methanone Traditional Name: [2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C26H26N6O3S2 MolecularWeight: 534.65304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N6O3S2/c1-18-28-29-26(32(18)20-5-3-2-4-6-20)37-16-24-27-21(15-36-24)25(33)31-11-9-30(10-12-31)14-19-7-8-22-23(13-19)35-17-34-22/h2-8,13,15H,9-12,14,16-17H2,1H3