1-[4-[(5,7-dimethyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

Systemtic Name: 1-[4-[(5,7-dimethyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Openeye Name: 1-[4-[(5,7-dimethyl-3-thioxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-(4-methylthiazol-2-yl)ethanone CAS Name: 1-[4-[(5,7-dimethyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)methyl]-1-piperazinyl]-2-(4-methyl-2-thiazolyl)ethanone IUPAC Name: 1-[4-[(5,7-dimethyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Traditional Name: 1-[4-[(5,7-dimethyl-3-thioxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)methyl]piperazino]-2-(4-methylthiazol-2-yl)ethanone Formula: C18H23N7OS2 MolecularWeight: 417.55152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN(C(=S)N12)CN3CCN(CC3)C(=O)CC4=NC(=CS4)C)C

Isomeric SMILES

CC1=CC(=NC2=NN(C(=S)N12)CN3CCN(CC3)C(=O)CC4=NC(=CS4)C)C

InChI

InChI=1S/C18H23N7OS2/c1-12-8-14(3)25-17(20-12)21-24(18(25)27)11-22-4-6-23(7-5-22)16(26)9-15-19-13(2)10-28-15/h8,10H,4-7,9,11H2,1-3H3