3-[3-[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate

Systemtic Name: 3-[3-[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Openeye Name: 3-[3-[(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-[[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate IUPAC Name: 3-[3-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-[[(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionate Formula: C20H17N4O3S2- MolecularWeight: 425.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CCC(=O)[O-])C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CCC(=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H18N4O3S2/c1-12(18(27)14-11-21-15-6-3-2-5-13(14)15)29-20-23-22-19(16-7-4-10-28-16)24(20)9-8-17(25)26/h2-7,10-12,21H,8-9H2,1H3,(H,25,26)/p-1/t12-/m0/s1