6-[[(2-bromophenyl)-diphenyl-methyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Systemtic Name: 6-[[(2-bromophenyl)-diphenyl-methyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-[[(2-bromophenyl)-diphenyl-methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-[[(2-bromophenyl)-diphenylmethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-[[(2-bromophenyl)-diphenylmethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-[[(2-bromophenyl)-diphenyl-methyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C27H24BrN3OS MolecularWeight: 518.46796

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5Br)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5Br)C#N)C

InChI

InChI=1S/C27H24BrN3OS/c1-26(2)22(17-29)31-24(32)23(25(31)33-26)30-27(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-16-21(20)28/h3-16,22-23,25,30H,1-2H3