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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O4S/c1-24-18(10-27-15-5-2-13(21)3-6-15)22-23-20(24)29-11-12-8-19(26)28-17-9-14(25)4-7-16(12)17/h2-9,25H,10-11H2,1H3