5-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C21H23N4O4S- MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-12-16(19(27)29-4)13(2)22-17(12)18(26)14(3)30-21-24-23-20(28)25(21)11-10-15-8-6-5-7-9-15/h5-9,14,22H,10-11H2,1-4H3,(H,23,28)/p-1/t14-/m0/s1