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

Systemtic Name: [5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Openeye Name: [5-(2-furylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(o-tolyl)methanone CAS Name: [5-(2-furanylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone IUPAC Name: [5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Traditional Name: [5-(2-furfurylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(o-tolyl)methanone Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CO4

InChI

InChI=1S/C20H17N5O2/c1-14-6-2-3-9-17(14)19(26)25-20(22-13-16-8-5-11-27-16)23-18(24-25)15-7-4-10-21-12-15/h2-12H,13H2,1H3,(H,22,23,24)