(2R)-2-[[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide

Systemtic Name: (2R)-2-[[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: (2R)-2-[[5-(2-anilino-2-oxo-ethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: (2R)-2-[[5-(2-anilino-2-oxoethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: (2R)-2-[[5-(2-anilino-2-oxoethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: (2R)-2-[[5-(2-anilino-2-keto-ethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-3-18(21(29)24-17-13-9-6-10-14-17)30-22-26-25-19(27(22)4-2)15-20(28)23-16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3,(H,23,28)(H,24,29)/t18-/m1/s1