(1S)-1-(benzotriazol-1-yl)-1-phenylsulfanyl-butan-2-one

Systemtic Name: (1S)-1-(benzotriazol-1-yl)-1-phenylsulfanyl-butan-2-one Openeye Name: (1S)-1-(benzotriazol-1-yl)-1-phenylsulfanyl-butan-2-one CAS Name: (1S)-1-(1-benzotriazolyl)-1-(phenylthio)-2-butanone IUPAC Name: (1S)-1-(benzotriazol-1-yl)-1-phenylsulfanylbutan-2-one Traditional Name: (1S)-1-(benzotriazol-1-yl)-1-(phenylthio)butan-2-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

Isomeric SMILES

CCC(=O)[C@@H](N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-2-15(20)16(21-12-8-4-3-5-9-12)19-14-11-7-6-10-13(14)17-18-19/h3-11,16H,2H2,1H3/t16-/m0/s1