(2S)-2-benzo[e][1]benzothiol-1-yl-2-(benzotriazol-1-yl)-N-phenyl-ethanamide

Systemtic Name: (2S)-2-benzo[e][1]benzothiol-1-yl-2-(benzotriazol-1-yl)-N-phenyl-ethanamide Openeye Name: (2S)-2-benzo[e]benzothiophen-1-yl-2-(benzotriazol-1-yl)-N-phenyl-acetamide CAS Name: (2S)-2-(1-benzo[e][1]benzothiolyl)-2-(1-benzotriazolyl)-N-phenylacetamide IUPAC Name: (2S)-2-benzo[e][1]benzothiol-1-yl-2-(benzotriazol-1-yl)-N-phenylacetamide Traditional Name: (2S)-2-benzo[e]benzothiophen-1-yl-2-(benzotriazol-1-yl)-N-phenyl-acetamide Formula: C26H18N4OS MolecularWeight: 434.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(C2=CSC3=C2C4=CC=CC=C4C=C3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](C2=CSC3=C2C4=CC=CC=C4C=C3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H18N4OS/c31-26(27-18-9-2-1-3-10-18)25(30-22-13-7-6-12-21(22)28-29-30)20-16-32-23-15-14-17-8-4-5-11-19(17)24(20)23/h1-16,25H,(H,27,31)/t25-/m0/s1