N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2R)-butan-2-yl]amino]-oxomethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[[(1R)-1-methylpropyl]carbamoyl]acetamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NN=C(N1CC)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)CSC1=NN=C(N1CC)C2=CC=CC=C2

InChI

InChI=1S/C17H23N5O2S/c1-4-12(3)18-16(24)19-14(23)11-25-17-21-20-15(22(17)5-2)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H2,18,19,23,24)/t12-/m1/s1