4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-hydroxy-coumarin Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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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=CC(=C(C=C34)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

InChI

InChI=1S/C23H22ClN3O3S/c1-23(2,3)15-7-5-13(6-8-15)21-25-26-22(27(21)4)31-12-14-9-20(29)30-19-11-18(28)17(24)10-16(14)19/h5-11,28H,12H2,1-4H3