4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonitrile Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(C(=O)N(C(=O)N3C)C)C#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC3=C(C(=O)N(C(=O)N3C)C)C#N)C4=CC=CC=C4)C

InChI

InChI=1S/C23H20N6O2S/c1-14-10-11-17(12-15(14)2)29-19(16-8-6-5-7-9-16)25-26-22(29)32-21-18(13-24)20(30)27(3)23(31)28(21)4/h5-12H,1-4H3