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

Systemtic Name: ethyl 4-(4-dimethylaminophenyl)-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 4-(4-dimethylaminophenyl)-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylate CAS Name: 4-(4-dimethylaminophenyl)-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-dimethylaminophenyl)-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate Traditional Name: 4-(4-dimethylaminophenyl)-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C23H24N4O2S MolecularWeight: 420.52726

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-4-29-23(28)21-24-27(19-9-6-5-7-10-19)22(20-11-8-16-30-20)26(21)18-14-12-17(13-15-18)25(2)3/h5-16,22H,4H2,1-3H3