6,7-dimethyl-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C24H25N3O2S/c1-5-9-27-23(18-8-6-7-15(2)10-18)25-26-24(27)30-14-19-13-22(28)29-21-12-17(4)16(3)11-20(19)21/h6-8,10-13H,5,9,14H2,1-4H3