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

Systemtic Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O3S/c1-5-6-13-28-24(18-8-10-20(30-4)11-9-18)26-27-25(28)32-15-19-14-22(29)31-23-17(3)16(2)7-12-21(19)23/h7-12,14H,5-6,13,15H2,1-4H3