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

Systemtic Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1S)-1-phenylethyl]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1S)-1-phenylethyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1S)-1-phenylethyl]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1S)-1-phenylethyl]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: (3S)-1-(1H-imidazol-5-ylmethyl)-3-[(1S)-1-phenylethyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H25N5O2S2 MolecularWeight: 503.639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C2=C(CN1S(=O)(=O)C3=CC=CS3)C=C(C=C2)C#N)CC4=CN=CN4)C5=CC=CC=C5

Isomeric SMILES

C[C@H]([C@H]1CN(C2=C(CN1S(=O)(=O)C3=CC=CS3)C=C(C=C2)C#N)CC4=CN=CN4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2S2/c1-19(21-6-3-2-4-7-21)25-17-30(16-23-14-28-18-29-23)24-10-9-20(13-27)12-22(24)15-31(25)35(32,33)26-8-5-11-34-26/h2-12,14,18-19,25H,15-17H2,1H3,(H,28,29)/t19-,25+/m0/s1