N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-2-oxidanyl-propyl]benzenecarbothioamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-2-oxidanyl-propyl]benzenecarbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2-hydroxy-2-methyl-propyl]benzenecarbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2-hydroxy-2-methylpropyl]benzenecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2-hydroxy-2-methylpropyl]benzenecarbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)-2-hydroxy-2-methyl-propyl]thiobenzamide Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2)O

Isomeric SMILES

CC(C)([C@H](NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2)O

InChI

InChI=1S/C17H18N4OS/c1-17(2,22)16(18-15(23)12-8-4-3-5-9-12)21-14-11-7-6-10-13(14)19-20-21/h3-11,16,22H,1-2H3,(H,18,23)/t16-/m1/s1