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

Systemtic Name: 7-ethyl-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)N4CCOCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)N4CCOCC4

InChI

InChI=1S/C20H24N4O3S/c1-3-14-5-6-16-15(12-18(25)27-17(16)11-14)13-28-20-22-21-19(24(20)4-2)23-7-9-26-10-8-23/h5-6,11-12H,3-4,7-10,13H2,1-2H3