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

Systemtic Name: 3-(phenylmethyl)-4-propylsulfonyl-1-(2-sulfanylethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-propylsulfonyl-1-(2-sulfanylethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(2-mercaptoethyl)-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-propylsulfonyl-1-(2-sulfanylethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(2-mercaptoethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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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)CCS

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCS

InChI

InChI=1S/C22H27N3O2S2/c1-2-12-29(26,27)25-16-20-13-19(15-23)8-9-22(20)24(10-11-28)17-21(25)14-18-6-4-3-5-7-18/h3-9,13,21,28H,2,10-12,14,16-17H2,1H3