(3R,3aR)-2-phenyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole

Systemtic Name: (3R,3aR)-2-phenyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole Openeye Name: (3R,3aR)-2-phenyl-3-(2-thienyl)-3,3a,4,5-tetrahydrobenzo[g]indazole CAS Name: (3R,3aR)-2-phenyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole IUPAC Name: (3R,3aR)-2-phenyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole Traditional Name: (3R,3aR)-2-phenyl-3-(2-thienyl)-3,3a,4,5-tetrahydrobenz[g]indazole Formula: C21H18N2S MolecularWeight: 330.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2C3=NN([C@H]([C@H]31)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N2S/c1-2-8-16(9-3-1)23-21(19-11-6-14-24-19)18-13-12-15-7-4-5-10-17(15)20(18)22-23/h1-11,14,18,21H,12-13H2/t18-,21+/m0/s1