4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C18H25N7OS MolecularWeight: 387.5024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C18H25N7OS/c1-21(2)17(26)23-10-8-22(9-11-23)13-24-18(27)25(15-5-6-15)16(20-24)14-4-3-7-19-12-14/h3-4,7,12,15H,5-6,8-11,13H2,1-2H3