3-[1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)CCC(=O)N)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=S)N(C(=N3)CCC(=O)N)C)OCC

InChI

InChI=1S/C20H29N5O3S/c1-4-27-16-10-14-8-9-24(12-15(14)11-17(16)28-5-2)13-25-20(29)23(3)19(22-25)7-6-18(21)26/h10-11H,4-9,12-13H2,1-3H3,(H2,21,26)