(3R,3aS)-N-cyclopropyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide

Systemtic Name: (3R,3aS)-N-cyclopropyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: (3R,3aS)-N-cyclopropyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: (3R,3aS)-N-cyclopropyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: (3R,3aS)-N-cyclopropyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: (3R,3aS)-N-cyclopropyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C17H21N3S MolecularWeight: 299.43374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN(C(C2C1)C3=CC=CC=C3)C(=S)NC4CC4

Isomeric SMILES

C1CCC2=NN([C@H]([C@@H]2C1)C3=CC=CC=C3)C(=S)NC4CC4

InChI

InChI=1S/C17H21N3S/c21-17(18-13-10-11-13)20-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)19-20/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,18,21)/t14-,16+/m1/s1