4-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-[[2-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-[2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-[[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CSC4=NC(=O)NC(=C4C#N)C

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CSC4=NC(=O)NC(=C4C#N)C

InChI

InChI=1S/C27H24N4O2S/c1-17-14-22(24(32)16-34-26-23(15-28)18(2)29-27(33)30-26)19(3)31(17)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-14,25H,16H2,1-3H3,(H,29,30,33)