4-(2-azanylethyl)-3-oxidanylidene-5-phenyl-1H-pyrazole-2-carbothioamide

Systemtic Name: 4-(2-azanylethyl)-3-oxidanylidene-5-phenyl-1H-pyrazole-2-carbothioamide Openeye Name: 4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide CAS Name: 4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide IUPAC Name: 4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide Traditional Name: 4-(2-aminoethyl)-5-keto-3-phenyl-3-pyrazoline-1-carbothioamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)CCN

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)CCN

InChI

InChI=1S/C12H14N4OS/c13-7-6-9-10(8-4-2-1-3-5-8)15-16(11(9)17)12(14)18/h1-5,15H,6-7,13H2,(H2,14,18)