3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)O

InChI

InChI=1S/C22H21N3O4S/c1-2-15-10-17-16(11-20(27)29-19(17)12-18(15)26)13-30-22-24-23-21(28)25(22)9-8-14-6-4-3-5-7-14/h3-7,10-12,26H,2,8-9,13H2,1H3,(H,23,28)