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

Systemtic Name: N-ethyl-3-phenyl-7-(phenylmethyl)-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: 7-benzyl-N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: N-ethyl-3-phenyl-7-(phenylmethyl)-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: 7-benzyl-N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: 7-benzyl-N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3S/c1-2-24-23(27)26-22(18-12-7-4-8-13-18)20-15-9-14-19(21(20)25-26)16-17-10-5-3-6-11-17/h3-8,10-13,19-20,22H,2,9,14-16H2,1H3,(H,24,27)