2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C18H12ClN4O2S- MolecularWeight: 383.83148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NN=C(N3C4=CC=C(C=C4)Cl)SCC(=O)[O-])C=N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3NN=C(N3C4=CC=C(C=C4)Cl)SCC(=O)[O-])C=N2

InChI

InChI=1S/C18H13ClN4O2S/c19-11-5-7-12(8-6-11)23-17(21-22-18(23)26-10-16(24)25)14-9-20-15-4-2-1-3-13(14)15/h1-9,21H,10H2,(H,24,25)/p-1