3-azanyl-2-octanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide

Systemtic Name: 3-azanyl-2-octanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide Openeye Name: 3-amino-2-octanoyl-5-thioxo-1H-pyrazole-4-carboxamide CAS Name: 3-amino-2-(1-oxooctyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide IUPAC Name: 3-amino-2-octanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide Traditional Name: 5-amino-1-caprylyl-3-thioxo-3-pyrazoline-4-carboxamide Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=C(C(=S)N1)C(=O)N)N

Isomeric SMILES

CCCCCCCC(=O)N1C(=C(C(=S)N1)C(=O)N)N

InChI

InChI=1S/C12H20N4O2S/c1-2-3-4-5-6-7-8(17)16-10(13)9(11(14)18)12(19)15-16/h2-7,13H2,1H3,(H2,14,18)(H,15,19)