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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CC

InChI

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