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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-coumarin Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NNC(=N3)C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NNC(=N3)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C20H17N3O4S/c1-11-16(24)8-7-15-13(9-17(25)27-18(11)15)10-28-20-21-19(22-23-20)12-3-5-14(26-2)6-4-12/h3-9,24H,10H2,1-2H3,(H,21,22,23)