5-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C18H17N5S/c1-12-9-18(21-14(3)20-12)24-11-17-16(10-19)13(2)22-23(17)15-7-5-4-6-8-15/h4-9H,11H2,1-3H3