(2R,3S)-2-(benzotriazol-1-yl)-6-methoxy-2-methyl-3-phenyl-1-benzothiophen-3-ol

Systemtic Name: (2R,3S)-2-(benzotriazol-1-yl)-6-methoxy-2-methyl-3-phenyl-1-benzothiophen-3-ol Openeye Name: (2R,3S)-2-(benzotriazol-1-yl)-6-methoxy-2-methyl-3-phenyl-benzothiophen-3-ol CAS Name: (2R,3S)-2-(1-benzotriazolyl)-6-methoxy-2-methyl-3-phenyl-1-benzothiophen-3-ol IUPAC Name: (2R,3S)-2-(benzotriazol-1-yl)-6-methoxy-2-methyl-3-phenyl-1-benzothiophen-3-ol Traditional Name: (2R,3S)-2-(benzotriazol-1-yl)-6-methoxy-2-methyl-3-phenyl-benzothiophen-3-ol Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=C(S1)C=C(C=C2)OC)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-21(25-19-11-7-6-10-18(19)23-24-25)22(26,15-8-4-3-5-9-15)17-13-12-16(27-2)14-20(17)28-21/h3-14,26H,1-2H3/t21-,22+/m1/s1