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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C)C)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C)C)C5=CC=NC=C5)C

InChI

InChI=1S/C27H24N4O2S/c1-16-5-6-22(11-17(16)2)31-26(20-7-9-28-10-8-20)29-30-27(31)34-15-21-14-25(32)33-24-13-19(4)18(3)12-23(21)24/h5-14H,15H2,1-4H3