(2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-5-methyl-3-phenyl-1-benzothiophen-3-ol

Systemtic Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-5-methyl-3-phenyl-1-benzothiophen-3-ol Openeye Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-5-methyl-3-phenyl-benzothiophen-3-ol CAS Name: (2S,3R)-2-(1-benzotriazolyl)-2-ethyl-5-methyl-3-phenyl-1-benzothiophen-3-ol IUPAC Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-5-methyl-3-phenyl-1-benzothiophen-3-ol Traditional Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-5-methyl-3-phenyl-benzothiophen-3-ol Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C2=C(S1)C=CC(=C2)C)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC[C@]1([C@](C2=C(S1)C=CC(=C2)C)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H21N3OS/c1-3-22(26-20-12-8-7-11-19(20)24-25-26)23(27,17-9-5-4-6-10-17)18-15-16(2)13-14-21(18)28-22/h4-15,27H,3H2,1-2H3/t22-,23+/m0/s1