dibutyl-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl]azanium

Systemtic Name: dibutyl-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl]azanium Openeye Name: dibutyl-[3-[4-(4-chlorophenyl)thiazol-2-yl]-3-cyano-2-oxo-propyl]ammonium CAS Name: dibutyl-[3-[4-(4-chlorophenyl)-2-thiazolyl]-3-cyano-2-oxopropyl]ammonium IUPAC Name: dibutyl-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxopropyl]azanium Traditional Name: dibutyl-[3-[4-(4-chlorophenyl)thiazol-2-yl]-3-cyano-2-keto-propyl]ammonium Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC[NH+](CCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-3-5-11-25(12-6-4-2)14-20(26)18(13-23)21-24-19(15-27-21)16-7-9-17(22)10-8-16/h7-10,15,18H,3-6,11-12,14H2,1-2H3/p+1