4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=C(C=C5)OC)C

InChI

InChI=1S/C28H25N3O4S/c1-18-9-14-24-20(15-26(32)35-27(24)19(18)2)17-36-28-30-29-25(31(28)21-7-5-4-6-8-21)16-34-23-12-10-22(33-3)11-13-23/h4-15H,16-17H2,1-3H3