3-[3-cyclopropyl-5-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-1,2,4-triazol-4-yl]propionamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3CCC(=O)N)C4CC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3CCC(=O)N)C4CC4)O

InChI

InChI=1S/C19H20N4O4S/c1-10-14(24)5-4-13-12(8-16(26)27-17(10)13)9-28-19-22-21-18(11-2-3-11)23(19)7-6-15(20)25/h4-5,8,11,24H,2-3,6-7,9H2,1H3,(H2,20,25)