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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H25N3O3S/c1-19-8-13-24-22(17-26(32)34-25(24)16-19)18-35-28-30-29-27(21-9-11-23(33-2)12-10-21)31(28)15-14-20-6-4-3-5-7-20/h3-13,16-17H,14-15,18H2,1-2H3