(E,1R,2R)-2-(benzotriazol-1-yl)-4-phenyl-1-thiophen-2-yl-but-3-en-1-ol

Systemtic Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-phenyl-1-thiophen-2-yl-but-3-en-1-ol Openeye Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-phenyl-1-(2-thienyl)but-3-en-1-ol CAS Name: (E,1R,2R)-2-(1-benzotriazolyl)-4-phenyl-1-thiophen-2-yl-3-buten-1-ol IUPAC Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-phenyl-1-thiophen-2-ylbut-3-en-1-ol Traditional Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-phenyl-1-(2-thienyl)but-3-en-1-ol Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(C2=CC=CS2)O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/[C@H]([C@H](C2=CC=CS2)O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N3OS/c24-20(19-11-6-14-25-19)18(13-12-15-7-2-1-3-8-15)23-17-10-5-4-9-16(17)21-22-23/h1-14,18,20,24H/b13-12+/t18-,20-/m1/s1