methyl (3S,3aS,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate

Systemtic Name: methyl (3S,3aS,7E)-3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate Openeye Name: methyl (3S,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate CAS Name: (3S,3aS,7E)-3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioic acid methyl ester IUPAC Name: methyl (3S,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate Traditional Name: (3S,3aS,7E)-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioic acid methyl ester Formula: C22H23N3S MolecularWeight: 361.50312

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N1C(C2CCCC(=CC3=CC=CC=C3)C2=N1)C4=CC=CC=C4

Isomeric SMILES

CSC(=N)N1[C@@H]([C@@H]2CCC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3S/c1-26-22(23)25-21(17-11-6-3-7-12-17)19-14-8-13-18(20(19)24-25)15-16-9-4-2-5-10-16/h2-7,9-12,15,19,21,23H,8,13-14H2,1H3/b18-15+,23-22?/t19-,21-/m1/s1