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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-14(2)19-22-23-20(25(19)16-8-9-16)28-13-18(27)24(11-10-17(21)26)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,21,26)