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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(3-methylsulfanylpropylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(3-methylsulfanylpropylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[3-(methylthio)propylsulfonyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(3-methylsulfanylpropylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-[3-(methylthio)propylsulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O2S2 MolecularWeight: 495.66006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2S2/c1-33-10-5-11-34(31,32)30-16-22-12-21(14-26)8-9-25(22)29(17-23-15-27-19-28-23)18-24(30)13-20-6-3-2-4-7-20/h2-4,6-9,12,15,19,24H,5,10-11,13,16-18H2,1H3,(H,27,28)