1-(1H-imidazol-5-ylmethyl)-4-(2-methylthiolan-3-yl)sulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(2-methylthiolan-3-yl)sulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-methyltetrahydrothiophen-3-yl)sulfonyl-5H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[(2-methyl-3-thiolanyl)sulfonyl]-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-methylthiolan-3-yl)sulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-methyltetrahydrothiophen-3-yl)sulfonyl-5H-1,4-benzodiazepine-7-carbonitrile Formula: C26H27N5O2S2 MolecularWeight: 505.65488

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCS1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC1C(CCS1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(C=C2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H27N5O2S2/c1-19-26(9-10-34-19)35(32,33)31-15-22-11-21(13-27)7-8-25(22)30(16-23-14-28-18-29-23)17-24(31)12-20-5-3-2-4-6-20/h2-8,11,14,17-19,26H,9-10,12,15-16H2,1H3,(H,28,29)