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

Systemtic Name: 2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-ethyl-amino]-N-isopropyl-acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-4-25(13-18(27)22-15(2)3)19(28)14-29-21-24-23-20(17-10-11-17)26(21)12-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3,(H,22,27)