(3Z)-3-(2-chloranylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; ethanoic acid

Systemtic Name: (3Z)-3-(2-chloranylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine; ethanoic acid Openeye Name: acetic acid; (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine CAS Name: acetic acid; (3Z)-3-(2-chloro-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine IUPAC Name: acetic acid; (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine Traditional Name: acetic acid; [(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]-dimethyl-amine Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC(=O)O.CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNS.C2H4O2/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;1-2(3)4/h3-4,6-10,12H,5,11H2,1-2H3;1H3,(H,3,4)/b14-7-;