5-azanyl-1-[6-(4-chloranyl-2-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(4-chloranyl-2-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chloro-2-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chloro-2-methylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chloro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chloro-2-methyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C18H17ClN6OS MolecularWeight: 400.88518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C18H17ClN6OS/c1-4-13-12(9-20)17(21)25(24-13)15-8-16(23-18(22-15)27-3)26-14-6-5-11(19)7-10(14)2/h5-8H,4,21H2,1-3H3