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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(2-thienylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-propylsulfonyl-3-(2-thenyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C22H25N5O2S2 MolecularWeight: 455.5962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CS3)CC4=CN=CN4

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CS3)CC4=CN=CN4

InChI

InChI=1S/C22H25N5O2S2/c1-2-8-31(28,29)27-13-18-9-17(11-23)5-6-22(18)26(14-19-12-24-16-25-19)15-20(27)10-21-4-3-7-30-21/h3-7,9,12,16,20H,2,8,10,13-15H2,1H3,(H,24,25)