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

Systemtic Name: 3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(3-pyridylmethyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-1-(3-pyridinylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(pyridin-3-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(3-pyridylmethyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2S2/c28-16-22-10-11-26-24(14-22)19-31(35(32,33)27-9-5-13-34-27)25(15-21-6-2-1-3-7-21)20-30(26)18-23-8-4-12-29-17-23/h1-14,17,25H,15,18-20H2