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

Systemtic Name: 6-ethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=CC=C4)O

InChI

InChI=1S/C21H19N3O3S/c1-3-13-9-16-15(10-19(26)27-18(16)11-17(13)25)12-28-21-23-22-20(24(21)2)14-7-5-4-6-8-14/h4-11,25H,3,12H2,1-2H3