1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4O2S/c1-27-18-8-6-16(7-9-18)20-22-23-21(28)25(20)13-11-19(26)24-12-10-15-4-2-3-5-17(15)14-24/h2-9H,10-14H2,1H3,(H,23,28)