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

Systemtic Name: 6-ethyl-4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-coumarin Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3CC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3CC)O

InChI

InChI=1S/C16H17N3O3S/c1-3-10-5-12-11(6-15(21)22-14(12)7-13(10)20)8-23-16-18-17-9-19(16)4-2/h5-7,9,20H,3-4,8H2,1-2H3