N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1,3,5-trimethyl-4-pyrazolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H20N4S MolecularWeight: 300.4218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H20N4S/c1-11-15(12(2)19(3)18-11)17-16(21)20-9-8-13-6-4-5-7-14(13)10-20/h4-7H,8-10H2,1-3H3,(H,17,21)