N-cyclooctyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-cyclooctyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-cyclooctyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-cyclooctyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-cyclooctyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-cyclooctyl-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C18H25N3S MolecularWeight: 315.4762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3S/c22-18(19-16-11-7-2-1-3-8-12-16)21-14-13-17(20-21)15-9-5-4-6-10-15/h4-6,9-10,16H,1-3,7-8,11-14H2,(H,19,22)