2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]-N-isopropyl-acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C)NC(=O)CN(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C20H27N5O2S/c1-14(2)21-17(26)12-24(3)18(27)13-28-20-23-22-19(16-9-10-16)25(20)11-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,21,26)