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

Systemtic Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-19-15(7-6-14(17)22)18-21(16(19)23)11-20-9-8-12-4-2-3-5-13(12)10-20/h2-5H,6-11H2,1H3,(H2,17,22)