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

Systemtic Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-(4-methylphenyl)-1-thiophen-2-yl-but-3-en-1-ol Openeye Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-(p-tolyl)-1-(2-thienyl)but-3-en-1-ol CAS Name: (E,1R,2R)-2-(1-benzotriazolyl)-4-(4-methylphenyl)-1-thiophen-2-yl-3-buten-1-ol IUPAC Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-(4-methylphenyl)-1-thiophen-2-ylbut-3-en-1-ol Traditional Name: (E,1R,2R)-2-(benzotriazol-1-yl)-4-(p-tolyl)-1-(2-thienyl)but-3-en-1-ol Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(C(C2=CC=CS2)O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/[C@H]([C@H](C2=CC=CS2)O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N3OS/c1-15-8-10-16(11-9-15)12-13-19(21(25)20-7-4-14-26-20)24-18-6-3-2-5-17(18)22-23-24/h2-14,19,21,25H,1H3/b13-12+/t19-,21-/m1/s1