3-[(4-tert-butylphenyl)methyl]-4-chloranyl-1,3-benzothiazol-2-one

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-4-chloranyl-1,3-benzothiazol-2-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-4-chloro-1,3-benzothiazol-2-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-4-chloro-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-4-chloro-1,3-benzothiazol-2-one Traditional Name: 3-(4-tert-butylbenzyl)-4-chloro-1,3-benzothiazol-2-one Formula: C18H18ClNOS MolecularWeight: 331.85962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C=CC=C3Cl)SC2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C=CC=C3Cl)SC2=O

InChI

InChI=1S/C18H18ClNOS/c1-18(2,3)13-9-7-12(8-10-13)11-20-16-14(19)5-4-6-15(16)22-17(20)21/h4-10H,11H2,1-3H3