4-(5-bromanylthiophen-2-yl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(5-bromanylthiophen-2-yl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-[(5-bromo-2-thienyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonyl]-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(5-bromothiophen-2-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-[(5-bromo-2-thienyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H18BrN3O2S2 MolecularWeight: 488.42052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=C(S3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=C(S3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C21H18BrN3O2S2/c22-20-8-9-21(28-20)29(26,27)25-14-17-10-16(12-23)6-7-19(17)24-13-18(25)11-15-4-2-1-3-5-15/h1-10,18,24H,11,13-14H2