3-(4-fluorophenyl)-N-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide

Systemtic Name: 3-(4-fluorophenyl)-N-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide Openeye Name: 3-(4-fluorophenyl)-N-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide CAS Name: 3-(4-fluorophenyl)-N-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide IUPAC Name: 3-(4-fluorophenyl)-N-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide Traditional Name: 3-(4-fluorophenyl)-N-phenyl-3,3a,4,5-tetrahydrobenz[g]indazole-2-carbothioamide Formula: C24H20FN3S MolecularWeight: 401.499103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)F)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)F)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C24H20FN3S/c25-18-13-10-17(11-14-18)23-21-15-12-16-6-4-5-9-20(16)22(21)27-28(23)24(29)26-19-7-2-1-3-8-19/h1-11,13-14,21,23H,12,15H2,(H,26,29)