(2S)-1-(1H-imidazol-5-ylmethyl)-2-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: (2S)-1-(1H-imidazol-5-ylmethyl)-2-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: (2S)-2-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: (2S)-1-(1H-imidazol-5-ylmethyl)-2-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (2S)-2-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: (2S)-2-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(CN1S(=O)(=O)C3=CC=CS3)C=C(C=C2)C#N)CC4=CN=CN4)CC5=CC=CC=C5

Isomeric SMILES

C1[C@@H](N(C2=C(CN1S(=O)(=O)C3=CC=CS3)C=C(C=C2)C#N)CC4=CN=CN4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-29(34(31,32)25-7-4-10-33-25)17-23(12-19-5-2-1-3-6-19)30(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m0/s1