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

Systemtic Name: N,3-diphenyl-7-(phenylmethyl)-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: 7-benzyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: N,3-diphenyl-7-(phenylmethyl)-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: 7-benzyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: 7-benzyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C27H27N3S MolecularWeight: 425.58838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=NN(C(C2C1)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(C2=NN(C(C2C1)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3S/c31-27(28-23-16-8-3-9-17-23)30-26(21-13-6-2-7-14-21)24-18-10-15-22(25(24)29-30)19-20-11-4-1-5-12-20/h1-9,11-14,16-17,22,24,26H,10,15,18-19H2,(H,28,31)