3-(phenylmethyl)-4-propylsulfonyl-1-(3,3,3-triphenyl-1-sulfanyl-propyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-(phenylmethyl)-4-propylsulfonyl-1-(3,3,3-triphenyl-1-sulfanyl-propyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-propylsulfonyl-1-(3,3,3-triphenyl-1-sulfanyl-propyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1-mercapto-3,3,3-triphenylpropyl)-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-propylsulfonyl-1-(3,3,3-triphenyl-1-sulfanylpropyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1-mercapto-3,3,3-triphenyl-propyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C41H41N3O2S2 MolecularWeight: 671.91314

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)C(CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)C(CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S

InChI

InChI=1S/C41H41N3O2S2/c1-2-25-48(45,46)44-30-34-26-33(29-42)23-24-39(34)43(31-38(44)27-32-15-7-3-8-16-32)40(47)28-41(35-17-9-4-10-18-35,36-19-11-5-12-20-36)37-21-13-6-14-22-37/h3-24,26,38,40,47H,2,25,27-28,30-31H2,1H3