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

Systemtic Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

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