2-methylsulfanylethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2-methylsulfanylethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-methylsulfanylethyl-[(5S)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5S)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-[2-(methylthio)ethyl]ammonium IUPAC Name: 2-methylsulfanylethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-[2-(methylthio)ethyl]ammonium Formula: C17H25N4OS2+ MolecularWeight: 365.5366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCSC)C(=N1)C(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH2+]CCSC)C(=N1)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H24N4OS2/c1-21-15-6-5-12(18-7-9-23-2)10-14(15)16(20-21)17(22)19-11-13-4-3-8-24-13/h3-4,8,12,18H,5-7,9-11H2,1-2H3,(H,19,22)/p+1/t12-/m0/s1