2-[3-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C18H19N4O3S- MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])S[C@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H20N4O3S/c1-3-6-15-20-21-18(22(15)10-16(23)24)26-11(2)17(25)13-9-19-14-8-5-4-7-12(13)14/h4-5,7-9,11,19H,3,6,10H2,1-2H3,(H,23,24)/p-1/t11-/m1/s1