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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4C(C)C)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4C(C)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H27N3O3S/c1-18(2)23-7-5-6-8-25(23)32-28(20-10-12-22(34-4)13-11-20)30-31-29(32)36-17-21-16-27(33)35-26-15-19(3)9-14-24(21)26/h5-16,18H,17H2,1-4H3