(3S,3aS,7E)-3-phenyl-7-(phenylmethylidene)-N-prop-2-enyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide

Systemtic Name: (3S,3aS,7E)-3-phenyl-7-(phenylmethylidene)-N-prop-2-enyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide Openeye Name: (3S,3aS,7E)-N-allyl-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide CAS Name: (3S,3aS,7E)-3-phenyl-7-(phenylmethylene)-N-prop-2-enyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide IUPAC Name: (3S,3aS,7E)-7-benzylidene-3-phenyl-N-prop-2-enyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide Traditional Name: (3S,3aS,7E)-N-allyl-7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carbothioamide Formula: C24H25N3S MolecularWeight: 387.5404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1C(C2CCCC(=CC3=CC=CC=C3)C2=N1)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3S/c1-2-16-25-24(28)27-23(19-12-7-4-8-13-19)21-15-9-14-20(22(21)26-27)17-18-10-5-3-6-11-18/h2-8,10-13,17,21,23H,1,9,14-16H2,(H,25,28)/b20-17+/t21-,23-/m1/s1