ethyl 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylate CAS Name: 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N1C2=CC=C(C=C2)N(C)C)C3=CC=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(N1C2=CC=C(C=C2)N(C)C)C3=CC=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-4-30-23(29)21-25-28(19-9-7-16(24)8-10-19)22(20-6-5-15-31-20)27(21)18-13-11-17(12-14-18)26(2)3/h5-15,22H,4H2,1-3H3