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

Systemtic Name: 6-chloranyl-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=CC=CC=C4OC

InChI

InChI=1S/C20H16ClN3O4S/c1-24-19(12-5-3-4-6-16(12)27-2)22-23-20(24)29-10-11-7-18(26)28-17-9-15(25)14(21)8-13(11)17/h3-9,25H,10H2,1-2H3