(2-carbazol-9-yl-2-oxidanylidene-ethyl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: (2-carbazol-9-yl-2-oxidanylidene-ethyl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: (2-carbazol-9-yl-2-oxo-ethyl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(9-carbazolyl)-2-oxoethyl] ester IUPAC Name: (2-carbazol-9-yl-2-oxoethyl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid (2-carbazol-9-yl-2-keto-ethyl) ester Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4C5=CC=CC=C53)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4C5=CC=CC=C53)SC

InChI

InChI=1S/C25H20N4O3S/c1-16-26-27-25(33-2)28(16)18-13-11-17(12-14-18)24(31)32-15-23(30)29-21-9-5-3-7-19(21)20-8-4-6-10-22(20)29/h3-14H,15H2,1-2H3