3-(4-tert-butylphenyl)carbonyl-2H-1,3-benzothiazole-2-carbonitrile

Systemtic Name: 3-(4-tert-butylphenyl)carbonyl-2H-1,3-benzothiazole-2-carbonitrile Openeye Name: 3-(4-tert-butylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile CAS Name: 3-[(4-tert-butylphenyl)-oxomethyl]-2H-1,3-benzothiazole-2-carbonitrile IUPAC Name: 3-(4-tert-butylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile Traditional Name: 3-(4-tert-butylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(SC3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C19H18N2OS/c1-19(2,3)14-10-8-13(9-11-14)18(22)21-15-6-4-5-7-16(15)23-17(21)12-20/h4-11,17H,1-3H3