N-[(1S,2R)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-ethyl]aniline

Systemtic Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-ethyl]aniline Openeye Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-ethyl]aniline CAS Name: N-[(1S,2R)-2-(1-benzotriazolyl)-2-(methylthio)-1-phenylethyl]aniline IUPAC Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenylethyl]aniline Traditional Name: [(1S,2R)-2-(benzotriazol-1-yl)-2-(methylthio)-1-phenyl-ethyl]-phenyl-amine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C1=CC=CC=C1)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CS[C@H]([C@H](C1=CC=CC=C1)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20N4S/c1-26-21(25-19-15-9-8-14-18(19)23-24-25)20(16-10-4-2-5-11-16)22-17-12-6-3-7-13-17/h2-15,20-22H,1H3/t20-,21+/m0/s1