3-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-prop-2-yn-1-amine

Systemtic Name: 3-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-prop-2-yn-1-amine Openeye Name: 3-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-prop-2-yn-1-amine CAS Name: 3-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethyl-2-propyn-1-amine IUPAC Name: 3-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]-N,N-dimethylprop-2-yn-1-amine Traditional Name: 3-[3-(4-chlorophenyl)-1,2-benzothiazol-6-yl]prop-2-ynyl-dimethyl-amine Formula: C18H15ClN2S MolecularWeight: 326.8431

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2S/c1-21(2)11-3-4-13-5-10-16-17(12-13)22-20-18(16)14-6-8-15(19)9-7-14/h5-10,12H,11H2,1-2H3