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

Systemtic Name: (3R,3aS)-N-ethyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: (3R,3aS)-N-ethyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: (3R,3aS)-N-ethyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: (3R,3aS)-N-ethyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: (3R,3aS)-N-ethyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C17H23N3S MolecularWeight: 301.44962

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C(C2CCCC(C2=N1)C)C3=CC=CC=C3

Isomeric SMILES

CCNC(=S)N1[C@H]([C@@H]2CCCC(C2=N1)C)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3S/c1-3-18-17(21)20-16(13-9-5-4-6-10-13)14-11-7-8-12(2)15(14)19-20/h4-6,9-10,12,14,16H,3,7-8,11H2,1-2H3,(H,18,21)/t12?,14-,16+/m1/s1