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

Systemtic Name: 3-phenyl-7-(phenylmethyl)-N-prop-2-enyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: N-allyl-7-benzyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: 3-phenyl-7-(phenylmethyl)-N-prop-2-enyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: 7-benzyl-3-phenyl-N-prop-2-enyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: N-allyl-7-benzyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C24H27N3S MolecularWeight: 389.55628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3S/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/h2-8,10-13,20-21,23H,1,9,14-17H2,(H,25,28)