4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NCC3=CC=CO3)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NCC3=CC=CO3)C

InChI

InChI=1S/C17H25N5OS/c1-3-22-14(2)15(11-19-22)13-20-6-8-21(9-7-20)17(24)18-12-16-5-4-10-23-16/h4-5,10-11H,3,6-9,12-13H2,1-2H3,(H,18,24)