[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S2/c1-30-21-16-18(25-32-14-15-33-25)12-13-20(21)31-24(29)22-26-23(17-8-4-2-5-9-17)28(27-22)19-10-6-3-7-11-19/h2-13,16,25H,14-15H2,1H3