[2-[(1S)-1-(benzotriazol-1-yl)ethyl]sulfanylphenyl]-(4-methylphenyl)methanone

Systemtic Name: [2-[(1S)-1-(benzotriazol-1-yl)ethyl]sulfanylphenyl]-(4-methylphenyl)methanone Openeye Name: [2-[(1S)-1-(benzotriazol-1-yl)ethyl]sulfanylphenyl]-(p-tolyl)methanone CAS Name: [2-[[(1S)-1-(1-benzotriazolyl)ethyl]thio]phenyl]-(4-methylphenyl)methanone IUPAC Name: [2-[(1S)-1-(benzotriazol-1-yl)ethyl]sulfanylphenyl]-(4-methylphenyl)methanone Traditional Name: [2-[[(1S)-1-(benzotriazol-1-yl)ethyl]thio]phenyl]-(p-tolyl)methanone Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2SC(C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2S[C@@H](C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H19N3OS/c1-15-11-13-17(14-12-15)22(26)18-7-3-6-10-21(18)27-16(2)25-20-9-5-4-8-19(20)23-24-25/h3-14,16H,1-2H3/t16-/m0/s1