(3S,3aR,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide

Systemtic Name: (3S,3aR,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide Openeye Name: (3S,3aR,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide CAS Name: (3S,3aR,7E)-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide IUPAC Name: (3S,3aR,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide Traditional Name: (3S,3aR,7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide Formula: C21H21N3S MolecularWeight: 347.47654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=S)N)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]2[C@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3S/c22-21(25)24-20(16-10-5-2-6-11-16)18-13-7-12-17(19(18)23-24)14-15-8-3-1-4-9-15/h1-6,8-11,14,18,20H,7,12-13H2,(H2,22,25)/b17-14+/t18-,20+/m0/s1