N-(3,4-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N4O3S/c1-27-16-11-10-14(13-17(16)28-2)22-21(26)19-23-20(18-9-6-12-29-18)25(24-19)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,22,26)