(3,4-dimethoxyphenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4)OC

InChI

InChI=1S/C21H19N5O3S/c1-28-17-8-7-14(11-18(17)29-2)20(27)26-21(23-13-16-6-4-10-30-16)24-19(25-26)15-5-3-9-22-12-15/h3-12H,13H2,1-2H3,(H,23,24,25)