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

Systemtic Name: pyridin-4-yl-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Openeye Name: 4-pyridyl-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]methanone CAS Name: pyridin-4-yl-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone IUPAC Name: pyridin-4-yl-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone Traditional Name: 4-pyridyl-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]methanone Formula: C18H14N6OS MolecularWeight: 362.40836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6OS/c25-17(13-5-8-19-9-6-13)24-18(21-12-15-4-2-10-26-15)22-16(23-24)14-3-1-7-20-11-14/h1-11H,12H2,(H,21,22,23)