7-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-3-15-10-11-18-17(13-20(26)27-19(18)12-15)14-28-22-24-23-21(25(22)4-2)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3