[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[4-(3-methylphenyl)-5-thiophen-2-yl-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-[[4-(3-methylphenyl)-5-thiophen-2-yl-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-[[4-(m-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-[[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone Traditional Name: [2-[[[4-(m-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C30H28N6O3S3 MolecularWeight: 616.77672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7=CC=CS7

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C7=CC=CS7

InChI

InChI=1S/C30H28N6O3S3/c1-20-4-2-5-22(14-20)36-28(26-6-3-13-40-26)32-33-30(36)42-18-27-31-23(17-41-27)29(37)35-11-9-34(10-12-35)16-21-7-8-24-25(15-21)39-19-38-24/h2-8,13-15,17H,9-12,16,18-19H2,1H3