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

Systemtic Name: 1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylsulfonyl)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylsulfonyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C24H21N5O4S3 MolecularWeight: 539.64964

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1S(=O)(=O)C3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1S(=O)(=O)C3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H21N5O4S3/c25-13-19-8-9-22-20(11-19)15-28(36(32,33)24-7-4-10-34-24)21(12-18-5-2-1-3-6-18)16-29(22)35(30,31)23-14-26-17-27-23/h1-11,14,17,21H,12,15-16H2,(H,26,27)