1-[(1E,3S,5E)-6-(benzotriazol-1-yl)-1-chloranyl-hexa-1,5-dien-3-yl]benzotriazole

Systemtic Name: 1-[(1E,3S,5E)-6-(benzotriazol-1-yl)-1-chloranyl-hexa-1,5-dien-3-yl]benzotriazole Openeye Name: 1-[(1E,4S,5E)-4-(benzotriazol-1-yl)-6-chloro-hexa-1,5-dienyl]benzotriazole CAS Name: 1-[(1E,3S,5E)-6-(1-benzotriazolyl)-1-chlorohexa-1,5-dien-3-yl]benzotriazole IUPAC Name: 1-[(1E,3S,5E)-6-(benzotriazol-1-yl)-1-chlorohexa-1,5-dien-3-yl]benzotriazole Traditional Name: 1-[(1E,4S,5E)-4-(benzotriazol-1-yl)-6-chloro-hexa-1,5-dienyl]benzotriazole Formula: C18H15ClN6 MolecularWeight: 350.8049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C=CCC(C=CCl)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2/C=C/C[C@@H](/C=C/Cl)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15ClN6/c19-12-11-14(25-18-10-4-2-8-16(18)21-23-25)6-5-13-24-17-9-3-1-7-15(17)20-22-24/h1-5,7-14H,6H2/b12-11+,13-5+/t14-/m0/s1