6-ethyl-4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[[[4-ethyl-5-(o-tolyl)-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:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)C4=CC=CC=C4C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)C4=CC=CC=C4C)O

InChI

InChI=1S/C23H23N3O3S/c1-4-15-10-18-16(11-21(28)29-20(18)12-19(15)27)13-30-23-25-24-22(26(23)5-2)17-9-7-6-8-14(17)3/h6-12,27H,4-5,13H2,1-3H3