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

Systemtic Name: 2-[3-(3-methylphenyl)furan-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Openeye Name: 2-[3-(m-tolyl)-2-furyl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one CAS Name: 2-[3-(3-methylphenyl)-2-furanyl]-3-(1H-1,2,4-triazol-5-yl)-1-propen-1-one IUPAC Name: 2-[3-(3-methylphenyl)furan-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one Traditional Name: 2-[3-(m-tolyl)-2-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(OC=C2)C(=C=O)CC3=NC=NN3

Isomeric SMILES

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

InChI

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