N-[(1R,2R)-1-(benzotriazol-1-yl)-2-oxidanyl-2-phenyl-ethyl]benzenecarbothioamide

Systemtic Name: N-[(1R,2R)-1-(benzotriazol-1-yl)-2-oxidanyl-2-phenyl-ethyl]benzenecarbothioamide Openeye Name: N-[(1R,2R)-1-(benzotriazol-1-yl)-2-hydroxy-2-phenyl-ethyl]benzenecarbothioamide CAS Name: N-[(1R,2R)-1-(1-benzotriazolyl)-2-hydroxy-2-phenylethyl]benzenecarbothioamide IUPAC Name: N-[(1R,2R)-1-(benzotriazol-1-yl)-2-hydroxy-2-phenylethyl]benzenecarbothioamide Traditional Name: N-[(1R,2R)-1-(benzotriazol-1-yl)-2-hydroxy-2-phenyl-ethyl]thiobenzamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(NC(=S)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](NC(=S)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)O

InChI

InChI=1S/C21H18N4OS/c26-19(15-9-3-1-4-10-15)20(22-21(27)16-11-5-2-6-12-16)25-18-14-8-7-13-17(18)23-24-25/h1-14,19-20,26H,(H,22,27)/t19-,20-/m1/s1