[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C19H18N4O3S/c24-18(21-10-11-27-17-4-2-1-3-5-17)12-26-19(25)15-6-8-16(9-7-15)23-14-20-13-22-23/h1-9,13-14H,10-12H2,(H,21,24)