(3R)-1-butylsulfanyl-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: (3R)-1-butylsulfanyl-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: (3R)-3-benzyl-1-butylsulfanyl-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: (3R)-1-(butylthio)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (3R)-3-benzyl-1-butylsulfanyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: (3R)-3-benzyl-1-(butylthio)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H27N3O2S3 MolecularWeight: 497.69578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSN1CC(N(CC2=C1C=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCCCSN1C[C@H](N(CC2=C1C=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S3/c1-2-3-14-32-27-19-23(16-20-8-5-4-6-9-20)28(33(29,30)25-10-7-13-31-25)18-22-15-21(17-26)11-12-24(22)27/h4-13,15,23H,2-3,14,16,18-19H2,1H3/t23-/m1/s1