4-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4C)C)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4C)C)C5=CC=NC=C5

InChI

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