3-[1-[(6,7-dimethoxy-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-dimethoxy-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-dimethoxy-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-dimethoxy-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-dimethoxy-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-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC3=CC(=C(C=C3C2)OC)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC3=CC(=C(C=C3C2)OC)OC)CCC(=O)N

InChI

InChI=1S/C18H25N5O3S/c1-21-17(5-4-16(19)24)20-23(18(21)27)11-22-7-6-12-8-14(25-2)15(26-3)9-13(12)10-22/h8-9H,4-7,10-11H2,1-3H3,(H2,19,24)