3-[4-cyclopropyl-5-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)CCC(=O)N

InChI

InChI=1S/C18H19N5O4S/c19-15(25)5-6-16-21-22-18(23(16)11-2-3-11)28-9-13(24)10-1-4-14-12(7-10)20-17(26)8-27-14/h1,4,7,11H,2-3,5-6,8-9H2,(H2,19,25)(H,20,26)