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

Systemtic Name: 4-methyl-7-[2-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]ethoxy]-4-methyl-coumarin Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3C(=NN=C3SC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3C(=NN=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S/c1-13-10-19(26)28-17-11-15(8-9-16(13)17)27-12-18(25)24-20(22-23-21(24)29-2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3