4-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-allyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[4-allyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)C(C)(C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)COC4=CC=C(C=C4)C(C)(C)C)O

InChI

InChI=1S/C28H31N3O4S/c1-6-12-31-25(16-34-21-10-8-20(9-11-21)28(3,4)5)29-30-27(31)36-17-19-14-26(33)35-24-15-23(32)18(7-2)13-22(19)24/h6,8-11,13-15,32H,1,7,12,16-17H2,2-5H3