4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CCN1C=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C16H17N3O2S/c1-4-19-9-17-18-16(19)22-8-12-7-14(20)21-15-11(3)10(2)5-6-13(12)15/h5-7,9H,4,8H2,1-3H3