2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazole Formula: C18H19NS2 MolecularWeight: 313.48016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19NS2/c1-18(2,3)14-10-8-13(9-11-14)12-20-17-19-15-6-4-5-7-16(15)21-17/h4-11H,12H2,1-3H3