4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-coumarin Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C21H19N3O4S/c1-12-17(25)9-8-16-14(10-18(26)28-19(12)16)11-29-21-23-22-20(24(21)2)13-4-6-15(27-3)7-5-13/h4-10,25H,11H2,1-3H3