2-(2,2-dimethylpropylsulfanyl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine

Systemtic Name: 2-(2,2-dimethylpropylsulfanyl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine Openeye Name: 2-(2,2-dimethylpropylsulfanyl)-N-(2-pyridylmethyl)-1,3-benzothiazol-6-amine CAS Name: 2-(2,2-dimethylpropylthio)-N-(2-pyridinylmethyl)-1,3-benzothiazol-6-amine IUPAC Name: 2-(2,2-dimethylpropylsulfanyl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine Traditional Name: [2-(neopentylthio)-1,3-benzothiazol-6-yl]-(2-pyridylmethyl)amine Formula: C18H21N3S2 MolecularWeight: 343.50944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=NC2=C(S1)C=C(C=C2)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)CSC1=NC2=C(S1)C=C(C=C2)NCC3=CC=CC=N3

InChI

InChI=1S/C18H21N3S2/c1-18(2,3)12-22-17-21-15-8-7-13(10-16(15)23-17)20-11-14-6-4-5-9-19-14/h4-10,20H,11-12H2,1-3H3