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

Systemtic Name: [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone Openeye Name: [5-(2-furylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-(p-tolyl)methanone CAS Name: [5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone IUPAC Name: [5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone Traditional Name: [5-(2-furfurylamino)-3-phenyl-1,2,4-triazol-1-yl]-(p-tolyl)methanone Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4

InChI

InChI=1S/C21H18N4O2/c1-15-9-11-17(12-10-15)20(26)25-21(22-14-18-8-5-13-27-18)23-19(24-25)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23,24)