3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H18N4O2S/c20-13(18-8-4-5-9-18)11-22-15-17-16-14(21)19(15)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,21)