4-propyl-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-propyl-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 4-propyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-propyl-3-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O2S/c1-2-9-21-16(23)18-19-17(21)24-12-13-5-7-14(8-6-13)15(22)20-10-3-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,18,23)