3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]propionamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C18H25N5O2S/c1-18(2,3)16-20-17(22-21-16)26-12-15(25)23(10-9-14(19)24)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H2,19,24)(H,20,21,22)