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

Systemtic Name: 4-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)COC4=CC=CC=C4Cl

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)COC4=CC=CC=C4Cl

InChI

InChI=1S/C24H24ClN3O4S/c1-3-16(4-2)28-22(13-31-20-8-6-5-7-19(20)25)26-27-24(28)33-14-15-11-23(30)32-21-12-17(29)9-10-18(15)21/h5-12,16,29H,3-4,13-14H2,1-2H3