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

Systemtic Name: 7-ethyl-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CCOC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CCOC

InChI

InChI=1S/C17H19N3O3S/c1-3-12-4-5-14-13(9-16(21)23-15(14)8-12)10-24-17-19-18-11-20(17)6-7-22-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3