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

Systemtic Name: 4-butyl-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H24N4O2S/c1-2-3-12-22-17(24)19-20-18(22)25-13-14-6-8-15(9-7-14)16(23)21-10-4-5-11-21/h6-9H,2-5,10-13H2,1H3,(H,19,24)