N-methyl-5-(2-methylsulfanylethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: N-methyl-5-(2-methylsulfanylethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: N-methyl-5-(2-methylsulfanylethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: N-methyl-5-[2-(methylthio)ethylamino]-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: N-methyl-5-(2-methylsulfanylethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: N-methyl-5-[2-(methylthio)ethylamino]-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)NCCSC)CCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=NN(C2=C1CC(CC2)NCCSC)CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-21-20(25)19-17-14-16(22-11-13-26-2)8-9-18(17)24(23-19)12-10-15-6-4-3-5-7-15/h3-7,16,22H,8-14H2,1-2H3,(H,21,25)