7-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C24H18N4O2S/c1-16-7-8-20-18(14-22(29)30-21(20)13-16)15-31-24-27-26-23(17-9-11-25-12-10-17)28(24)19-5-3-2-4-6-19/h2-14H,15H2,1H3