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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C23H23N3O3S/c1-23(2,3)16-7-5-14(6-8-16)21-24-25-22(26(21)4)30-13-15-11-20(28)29-19-12-17(27)9-10-18(15)19/h5-12,27H,13H2,1-4H3