3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-2,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-2,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(2-thienylsulfonyl)-1,2,3,5-tetrahydro-2,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-2,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-2,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(2-thienylsulfonyl)-1,2,3,5-tetrahydro-2,4-benzodiazepine-7-carbonitrile Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN(C(N1)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4)C=C(C=C2)C#N

Isomeric SMILES

C1C2=C(CN(C(N1)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4)C=C(C=C2)C#N

InChI

InChI=1S/C21H19N3O2S2/c22-13-17-8-9-18-14-23-20(12-16-5-2-1-3-6-16)24(15-19(18)11-17)28(25,26)21-7-4-10-27-21/h1-11,20,23H,12,14-15H2