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

Systemtic Name: 3-[5-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-4-14-5-6-16-15(10-20(27)28-17(16)9-14)12-29-21-24-23-19(8-7-18(22)26)25(21)11-13(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H2,22,26)