N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H29N5OS/c1-4-7-17-22-23-19(27)25(17)13-18(26)21-14-20(2,3)24-11-10-15-8-5-6-9-16(15)12-24/h5-6,8-9H,4,7,10-14H2,1-3H3,(H,21,26)(H,23,27)