(3R)-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1CN3C(=S)N(C(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C21H23N5OS2/c1-22-20(27)17-11-14-5-2-3-6-15(14)12-24(17)13-25-21(28)26(16-8-9-16)19(23-25)18-7-4-10-29-18/h2-7,10,16-17H,8-9,11-13H2,1H3,(H,22,27)/t17-/m1/s1