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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)C(=O)C4=CC=CC=C4

InChI

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