2-[2-(3-methylphenyl)furan-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one

Systemtic Name: 2-[2-(3-methylphenyl)furan-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Openeye Name: 2-[2-(m-tolyl)-3-furyl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one CAS Name: 2-[2-(3-methylphenyl)-3-furanyl]-3-(1H-1,2,4-triazol-5-yl)-1-propen-1-one IUPAC Name: 2-[2-(3-methylphenyl)furan-3-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Traditional Name: 2-[2-(m-tolyl)-3-furyl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=CO2)C(=C=O)CC3=NC=NN3

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=CO2)C(=C=O)CC3=NC=NN3

InChI

InChI=1S/C16H13N3O2/c1-11-3-2-4-12(7-11)16-14(5-6-21-16)13(9-20)8-15-17-10-18-19-15/h2-7,10H,8H2,1H3,(H,17,18,19)