2-[3-cyclopropyl-5-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-cyclopropyl-5-[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-cyclopropyl-5-[2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-cyclopropyl-5-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-cyclopropyl-5-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-cyclopropyl-5-[[2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]thio]-1,2,4-triazol-4-yl]acetamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC(=O)N)C3CC3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC(=O)N)C3CC3

InChI

InChI=1S/C19H25N5O2S/c1-13(7-8-14-5-3-2-4-6-14)21-17(26)12-27-19-23-22-18(15-9-10-15)24(19)11-16(20)25/h2-6,13,15H,7-12H2,1H3,(H2,20,25)(H,21,26)