2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]ethanamide

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(C(C)C)C(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@@H](C(C)C)C(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2S/c1-4-26-19(16-10-6-5-7-11-16)23-24-21(26)29-14-17(27)22-18(15(2)3)20(28)25-12-8-9-13-25/h5-7,10-11,15,18H,4,8-9,12-14H2,1-3H3,(H,22,27)/t18-/m0/s1