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

Systemtic Name: 7,8-dimethyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)C

InChI

InChI=1S/C25H20N4O2S/c1-16-8-9-21-19(14-22(30)31-23(21)17(16)2)15-32-25-28-27-24(18-10-12-26-13-11-18)29(25)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3