2-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-isopropylbenzyl)thio]-1,3-benzothiazole Formula: C17H17NS2 MolecularWeight: 299.45358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NS2/c1-12(2)14-9-7-13(8-10-14)11-19-17-18-15-5-3-4-6-16(15)20-17/h3-10,12H,11H2,1-2H3