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

Systemtic Name: ethyl 2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4O2S/c1-3-23-16(22)10-15-18-21(17(24)19(15)2)12-20-9-8-13-6-4-5-7-14(13)11-20/h4-7H,3,8-12H2,1-2H3