N-[(E)-[2-(4-tert-butylphenyl)-6-chloranyl-chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloranyl-chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-chromen-4-ylidene]amino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chloro-1-benzopyran-4-ylidene]amino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[2-(4-tert-butylphenyl)-6-chlorochromen-4-ylidene]amino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[2-(4-tert-butylphenyl)-6-chloro-chromen-4-ylidene]amino]amine Formula: C26H22ClN3OS MolecularWeight: 459.99038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NNC3=NC4=CC=CC=C4S3)C5=C(O2)C=CC(=C5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C/C(=N\NC3=NC4=CC=CC=C4S3)/C5=C(O2)C=CC(=C5)Cl

InChI

InChI=1S/C26H22ClN3OS/c1-26(2,3)17-10-8-16(9-11-17)23-15-21(19-14-18(27)12-13-22(19)31-23)29-30-25-28-20-6-4-5-7-24(20)32-25/h4-15H,1-3H3,(H,28,30)/b29-21+