5-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1,3-benzoxazol-2-amine

Systemtic Name: 5-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1,3-benzoxazol-2-amine Openeye Name: 5-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1,3-benzoxazol-2-amine CAS Name: 5-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1,3-benzoxazol-2-amine IUPAC Name: 5-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1,3-benzoxazol-2-amine Traditional Name: (5-chloro-1,3-benzoxazol-2-yl)-[4-[(3,4-dimethylphenyl)thio]phenyl]amine Formula: C21H17ClN2OS MolecularWeight: 380.89048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC3=NC4=C(O3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC3=NC4=C(O3)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H17ClN2OS/c1-13-3-7-18(11-14(13)2)26-17-8-5-16(6-9-17)23-21-24-19-12-15(22)4-10-20(19)25-21/h3-12H,1-2H3,(H,23,24)