[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H18BrN3O3S2/c1-12-17(23-24(22-12)14-6-4-3-5-7-14)19(25)27-18-15(21)10-13(11-16(18)26-2)20-28-8-9-29-20/h3-7,10-11,20H,8-9H2,1-2H3