N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(benzotriazol-1-ylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(benzotriazol-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(benzotriazol-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(1-benzotriazolylmethyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(benzotriazol-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(benzotriazol-1-ylmethyl)benzamide Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H24N6OS/c1-33-15-14-22(24-26-19-6-2-3-7-20(19)27-24)28-25(32)18-12-10-17(11-13-18)16-31-23-9-5-4-8-21(23)29-30-31/h2-13,22H,14-16H2,1H3,(H,26,27)(H,28,32)/t22-/m0/s1