(2S,3S)-2-(benzotriazol-1-yl)-2,5-dimethyl-3-(4-methylphenyl)-1-benzothiophen-3-ol

Systemtic Name: (2S,3S)-2-(benzotriazol-1-yl)-2,5-dimethyl-3-(4-methylphenyl)-1-benzothiophen-3-ol Openeye Name: (2S,3S)-2-(benzotriazol-1-yl)-2,5-dimethyl-3-(p-tolyl)benzothiophen-3-ol CAS Name: (2S,3S)-2-(1-benzotriazolyl)-2,5-dimethyl-3-(4-methylphenyl)-1-benzothiophen-3-ol IUPAC Name: (2S,3S)-2-(benzotriazol-1-yl)-2,5-dimethyl-3-(4-methylphenyl)-1-benzothiophen-3-ol Traditional Name: (2S,3S)-2-(benzotriazol-1-yl)-2,5-dimethyl-3-(p-tolyl)benzothiophen-3-ol Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C)SC2(C)N4C5=CC=CC=C5N=N4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2(C3=C(C=CC(=C3)C)S[C@]2(C)N4C5=CC=CC=C5N=N4)O

InChI

InChI=1S/C23H21N3OS/c1-15-8-11-17(12-9-15)23(27)18-14-16(2)10-13-21(18)28-22(23,3)26-20-7-5-4-6-19(20)24-25-26/h4-14,27H,1-3H3/t22-,23-/m0/s1