[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-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-(furan-2-yl)-4-(2-methylphenyl)-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-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-[[[5-(2-furanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone Traditional Name: [2-[[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C30H28N6O4S2 MolecularWeight: 600.71112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7=CC=CO7

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7=CC=CO7

InChI

InChI=1S/C30H28N6O4S2/c1-20-5-2-3-6-23(20)36-28(25-7-4-14-38-25)32-33-30(36)42-18-27-31-22(17-41-27)29(37)35-12-10-34(11-13-35)16-21-8-9-24-26(15-21)40-19-39-24/h2-9,14-15,17H,10-13,16,18-19H2,1H3