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

Systemtic Name: 3-[5-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(2-keto-7-methyl-chromen-4-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC(C)C)CCC(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC(C)C)CCC(=O)N

InChI

InChI=1S/C20H24N4O3S/c1-12(2)10-24-18(7-6-17(21)25)22-23-20(24)28-11-14-9-19(26)27-16-8-13(3)4-5-15(14)16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,21,25)