1-[(S)-(4-chlorophenyl)-[(2S)-2-phenyloxiran-2-yl]methyl]benzotriazole

Systemtic Name: 1-[(S)-(4-chlorophenyl)-[(2S)-2-phenyloxiran-2-yl]methyl]benzotriazole Openeye Name: 1-[(S)-(4-chlorophenyl)-[(2S)-2-phenyloxiran-2-yl]methyl]benzotriazole CAS Name: 1-[(S)-(4-chlorophenyl)-[(2S)-2-phenyl-2-oxiranyl]methyl]benzotriazole IUPAC Name: 1-[(S)-(4-chlorophenyl)-[(2S)-2-phenyloxiran-2-yl]methyl]benzotriazole Traditional Name: 1-[(S)-(4-chlorophenyl)-[(2S)-2-phenyloxiran-2-yl]methyl]benzotriazole Formula: C21H16ClN3O MolecularWeight: 361.82424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1[C@](O1)(C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)Cl)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H16ClN3O/c22-17-12-10-15(11-13-17)20(21(14-26-21)16-6-2-1-3-7-16)25-19-9-5-4-8-18(19)23-24-25/h1-13,20H,14H2/t20-,21-/m0/s1