1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C3=C(N(C(=C3)C)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H24N4O3S2/c1-15-6-4-5-7-20(15)26-24-27-28-25(34-24)33-13-21(30)19-10-16(2)29(17(19)3)12-18-8-9-22-23(11-18)32-14-31-22/h4-11H,12-14H2,1-3H3,(H,26,27)