1-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H25N5O2S2 MolecularWeight: 503.639

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2S2/c1-29-19-28-15-24(29)18-30-17-23(13-20-6-3-2-4-7-20)31(35(32,33)26-8-5-11-34-26)16-22-12-21(14-27)9-10-25(22)30/h2-12,15,19,23H,13,16-18H2,1H3