1-(5-methylsulfanyl-3-phenyl-2-propanoyl-3H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-(5-methylsulfanyl-3-phenyl-2-propanoyl-3H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(5-methylsulfanyl-3-phenyl-2-propanoyl-3H-1,2,4-triazol-4-yl)propan-1-one CAS Name: 1-[5-(methylthio)-2-(1-oxopropyl)-3-phenyl-3H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(5-methylsulfanyl-3-phenyl-2-propanoyl-3H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-[5-(methylthio)-3-phenyl-2-propionyl-3H-1,2,4-triazol-4-yl]propan-1-one Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(N(N=C1SC)C(=O)CC)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)N1C(N(N=C1SC)C(=O)CC)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-4-12(19)17-14(11-9-7-6-8-10-11)18(13(20)5-2)16-15(17)21-3/h6-10,14H,4-5H2,1-3H3