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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-phenyltriazole-4-carboxylate CAS Name: 2-phenyl-4-triazolecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-phenyltriazole-4-carboxylate Traditional Name: 2-phenyltriazole-4-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S2/c1-24-17-11-13(19-26-9-10-27-19)7-8-16(17)25-18(23)15-12-20-22(21-15)14-5-3-2-4-6-14/h2-8,11-12,19H,9-10H2,1H3