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

Systemtic Name: 6-ethyl-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC(=CC=C4)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C21H19N3O4S/c1-3-13-7-17-14(8-20(26)28-19(17)10-18(13)25)11-29-21-23-22-12-24(21)15-5-4-6-16(9-15)27-2/h4-10,12,25H,3,11H2,1-2H3