N-(2-ethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-(2-ethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-(2-ethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-(2-ethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-(2-ethylphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide Formula: C18H19N3S MolecularWeight: 309.42856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2C(CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2C(CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3S/c1-2-14-8-6-7-11-16(14)20-18(22)21-17(12-13-19-21)15-9-4-3-5-10-15/h3-11,13,17H,2,12H2,1H3,(H,20,22)