3-(4-fluorophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: 3-(4-fluorophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(4-fluorophenyl)-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(4-fluorophenyl)-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(4-fluorophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(4-fluorophenyl)-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C21H16FN5OS MolecularWeight: 405.448043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C=CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C=CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5OS/c22-17-8-5-15(6-9-17)7-10-19(28)27-21(24-14-18-4-2-12-29-18)25-20(26-27)16-3-1-11-23-13-16/h1-13H,14H2,(H,24,25,26)