2-[[(3R)-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[(3R)-2-oxidanylidene-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[(3R)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[(3R)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]thio]ethylammonium IUPAC Name: 2-[[(3R)-2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[(3R)-2-keto-4-phenyl-1,3-dihydro-1,5-benzodiazepin-3-yl]thio]ethylammonium Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2SCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)[C@@H]2SCC[NH3+]

InChI

InChI=1S/C17H17N3OS/c18-10-11-22-16-15(12-6-2-1-3-7-12)19-13-8-4-5-9-14(13)20-17(16)21/h1-9,16H,10-11,18H2,(H,20,21)/p+1/t16-/m1/s1