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

Systemtic Name: 4-methyl-7-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methoxy]chromen-2-one Openeye Name: 4-methyl-7-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methoxy]chromen-2-one CAS Name: 4-methyl-7-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methoxy]chromen-2-one Traditional Name: 4-methyl-7-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methoxy]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NN=C(N3C4=CC=CC=C4)SC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NN=C(N3C4=CC=CC=C4)SC

InChI

InChI=1S/C20H17N3O3S/c1-13-10-19(24)26-17-11-15(8-9-16(13)17)25-12-18-21-22-20(27-2)23(18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3