benzene; 3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Systemtic Name: benzene; 3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: benzene; 3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: benzene; 3,3-dimethyl-7-oxo-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: benzene; 3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: benzene; 7-keto-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C33H31N3OS MolecularWeight: 517.68374

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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=C5)C#N)C.C1=CC=CC=C1

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#N)C.C1=CC=CC=C1

InChI

InChI=1S/C27H25N3OS.C6H6/c1-26(2)22(18-28)30-24(31)23(25(30)32-26)29-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-4-6-5-3-1/h3-17,22-23,25,29H,1-2H3;1-6H