3-[3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]propionamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CO4

InChI

InChI=1S/C21H20N4O4S/c1-2-13-5-6-15-14(11-19(27)29-17(15)10-13)12-30-21-24-23-20(16-4-3-9-28-16)25(21)8-7-18(22)26/h3-6,9-11H,2,7-8,12H2,1H3,(H2,22,26)