3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-2-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-2-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-2-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-2-piperazinone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-2-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-2-one Formula: C20H25N7OS MolecularWeight: 411.5238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)CN2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCN1C=NN(C1=S)CN2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C20H25N7OS/c1-4-24-12-22-26(20(24)29)13-25-11-10-21-19(28)18(25)17-14(2)23-27(15(17)3)16-8-6-5-7-9-16/h5-9,12,18H,4,10-11,13H2,1-3H3,(H,21,28)