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

Systemtic Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone CAS Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-27-16-8-6-14(7-9-16)18-23-20(22-13-17-5-3-11-28-17)25(24-18)19(26)15-4-2-10-21-12-15/h2-12H,13H2,1H3,(H,22,23,24)