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

Systemtic Name: N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: N-ethyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C(C2CCCCC2=N1)C3=CC=CC=C3

Isomeric SMILES

CCNC(=S)N1C(C2CCCCC2=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3S/c1-2-17-16(20)19-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-19/h3-5,8-9,13,15H,2,6-7,10-11H2,1H3,(H,17,20)