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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(phenylsulfonyl)-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(2-thienylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-besyl-1-(1H-imidazol-5-ylmethyl)-3-(2-thenyl)-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(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CS5

InChI

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