3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-methylsulfanylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-methylsulfanylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-methylsulfanylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-[2-(methylthio)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-methylsulfanylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-[2-(methylthio)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCCSC)C(=N1)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=C(CC(CC2)NCCSC)C(=N1)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H28N4OS/c1-24-19-8-7-17(22-10-12-27-2)13-18(19)20(23-24)21(26)25-11-9-15-5-3-4-6-16(15)14-25/h3-6,17,22H,7-14H2,1-2H3