3-[3-cyclopropyl-5-[(1R)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[(1R)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[(1R)-2-(diethylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[(1R)-2-(diethylamino)-2-keto-1-phenyl-ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)SC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C20H27N5O2S/c1-3-24(4-2)19(27)17(14-8-6-5-7-9-14)28-20-23-22-18(15-10-11-15)25(20)13-12-16(21)26/h5-9,15,17H,3-4,10-13H2,1-2H3,(H2,21,26)/t17-/m1/s1