(4-methyl-2-oxidanylidene-chromen-7-yl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C25H18N4O4S MolecularWeight: 470.49982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H18N4O4S/c1-16-12-22(30)33-21-13-19(9-10-20(16)21)32-23(31)15-34-25-28-27-24(17-6-5-11-26-14-17)29(25)18-7-3-2-4-8-18/h2-14H,15H2,1H3