4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C29H27N3O2S MolecularWeight: 481.60858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C29H27N3O2S/c1-19-10-15-24-21(17-26(33)34-25(24)16-19)18-35-28-31-30-27(32(28)23-8-6-5-7-9-23)20-11-13-22(14-12-20)29(2,3)4/h5-17H,18H2,1-4H3