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

Systemtic Name: 4-ethenylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-vinylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-ethenylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-ethenylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-vinylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

C=CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C23H23N5O2S/c1-2-31(29,30)28-14-20-10-19(12-24)8-9-23(20)27(15-21-13-25-17-26-21)16-22(28)11-18-6-4-3-5-7-18/h2-10,13,17,22H,1,11,14-16H2,(H,25,26)