(1S)-4-(benzotriazol-1-yl)-1-(3,4-dichlorophenyl)-1-phenyl-but-2-yn-1-ol

Systemtic Name: (1S)-4-(benzotriazol-1-yl)-1-(3,4-dichlorophenyl)-1-phenyl-but-2-yn-1-ol Openeye Name: (1S)-4-(benzotriazol-1-yl)-1-(3,4-dichlorophenyl)-1-phenyl-but-2-yn-1-ol CAS Name: (1S)-4-(1-benzotriazolyl)-1-(3,4-dichlorophenyl)-1-phenyl-2-butyn-1-ol IUPAC Name: (1S)-4-(benzotriazol-1-yl)-1-(3,4-dichlorophenyl)-1-phenylbut-2-yn-1-ol Traditional Name: (1S)-4-(benzotriazol-1-yl)-1-(3,4-dichlorophenyl)-1-phenyl-but-2-yn-1-ol Formula: C22H15Cl2N3O MolecularWeight: 408.28

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CCN2C3=CC=CC=C3N=N2)(C4=CC(=C(C=C4)Cl)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@](C#CCN2C3=CC=CC=C3N=N2)(C4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C22H15Cl2N3O/c23-18-12-11-17(15-19(18)24)22(28,16-7-2-1-3-8-16)13-6-14-27-21-10-5-4-9-20(21)25-26-27/h1-5,7-12,15,28H,14H2/t22-/m0/s1