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

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

Systemtic Name:1-methyl-5-(3-methylsulfanylpropylamino)-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
Openeye Name:1-methyl-5-(3-methylsulfanylpropylamino)-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CAS Name:1-methyl-5-[3-(methylthio)propylamino]-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
IUPAC Name:1-methyl-5-(3-methylsulfanylpropylamino)-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
Traditional Name:1-methyl-5-[3-(methylthio)propylamino]-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
Formula: C21H30N4OS
MolecularWeight: 386.5541
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCCCSC)C(=N1)C(=O)NCCC3=CC=CC=C3


Isomeric SMILES

CN1C2=C(CC(CC2)NCCCSC)C(=N1)C(=O)NCCC3=CC=CC=C3


InChI

InChI=1S/C21H30N4OS/c1-25-19-10-9-17(22-12-6-14-27-2)15-18(19)20(24-25)21(26)23-13-11-16-7-4-3-5-8-16/h3-5,7-8,17,22H,6,9-15H2,1-2H3,(H,23,26)


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