3,5-bis(4-methylphenyl)-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3,5-bis(4-methylphenyl)-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-benzyl-3,5-bis(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3,5-bis(4-methylphenyl)-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-benzyl-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-benzyl-3,5-bis(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C25H25N3S MolecularWeight: 399.5511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25N3S/c1-18-8-12-21(13-9-18)23-16-24(22-14-10-19(2)11-15-22)28(27-23)25(29)26-17-20-6-4-3-5-7-20/h3-15,24H,16-17H2,1-2H3,(H,26,29)