[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-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 [1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-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 [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C28H27N5O3S MolecularWeight: 513.61068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)N4C(=NN=C4SC)C)C5=CC=CC=C51

InChI

InChI=1S/C28H27N5O3S/c1-5-32-24-9-7-6-8-22(24)23-16-20(12-15-25(23)32)29-26(34)17(2)36-27(35)19-10-13-21(14-11-19)33-18(3)30-31-28(33)37-4/h6-17H,5H2,1-4H3,(H,29,34)