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

Systemtic Name: (1-carbazol-9-yl-1-oxidanylidene-butan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-(carbazole-9-carbonyl)propyl 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 [1-(9-carbazolyl)-1-oxobutan-2-yl] ester IUPAC Name: (1-carbazol-9-yl-1-oxobutan-2-yl) 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 1-(carbazole-9-carbonyl)propyl ester Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)N5C(=NN=C5SC)C

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)N5C(=NN=C5SC)C

InChI

InChI=1S/C27H24N4O3S/c1-4-24(25(32)31-22-11-7-5-9-20(22)21-10-6-8-12-23(21)31)34-26(33)18-13-15-19(16-14-18)30-17(2)28-29-27(30)35-3/h5-16,24H,4H2,1-3H3