2-[(3S,4S)-4-(benzotriazol-2-yl)hexan-3-yl]benzotriazole

Systemtic Name: 2-[(3S,4S)-4-(benzotriazol-2-yl)hexan-3-yl]benzotriazole Openeye Name: 2-[(1S,2S)-2-(benzotriazol-2-yl)-1-ethyl-butyl]benzotriazole CAS Name: 2-[(3S,4S)-4-(2-benzotriazolyl)hexan-3-yl]benzotriazole IUPAC Name: 2-[(3S,4S)-4-(benzotriazol-2-yl)hexan-3-yl]benzotriazole Traditional Name: 2-[(1S,2S)-2-(benzotriazol-2-yl)-1-ethyl-butyl]benzotriazole Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)N1N=C2C=CC=CC2=N1)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC[C@@H]([C@H](CC)N1N=C2C=CC=CC2=N1)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C18H20N6/c1-3-17(23-19-13-9-5-6-10-14(13)20-23)18(4-2)24-21-15-11-7-8-12-16(15)22-24/h5-12,17-18H,3-4H2,1-2H3/t17-,18-/m0/s1