N-[3-[3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H16N4O4S/c1-12(25)22-14-3-2-4-15(8-14)24-11-21-23-20(24)29-10-13-7-19(27)28-18-9-16(26)5-6-17(13)18/h2-9,11,26H,10H2,1H3,(H,22,25)