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

Systemtic Name: 5-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-olate Openeye Name: 5-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-olate CAS Name: 5-[[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-4-(3-methoxypropyl)-1,2,4-triazol-3-olate IUPAC Name: 5-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-olate Traditional Name: 5-[[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-4-(3-methoxypropyl)-1,2,4-triazol-3-olate Formula: C17H19N4O3S- MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CCCOC)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CCCOC)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-11(15(22)13-10-18-14-7-4-3-6-12(13)14)25-17-20-19-16(23)21(17)8-5-9-24-2/h3-4,6-7,10-11,18H,5,8-9H2,1-2H3,(H,19,23)/p-1/t11-/m1/s1