methyl 2-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[[3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[3-(2-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[[3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O3S/c1-30-23(29)20-14-17-8-5-6-9-18(17)15-26(20)16-27-24(32)28(19-10-3-2-4-11-19)22(25-27)21-12-7-13-31-21/h2-13,20H,14-16H2,1H3