2-(4-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chlorophenyl)-4-(2-furylmethylsulfanyl)-6-methyl-pyrimidine-5-carbonitrile CAS Name: 2-(4-chlorophenyl)-4-(2-furanylmethylthio)-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidine-5-carbonitrile Traditional Name: 2-(4-chlorophenyl)-4-(2-furfurylthio)-6-methyl-pyrimidine-5-carbonitrile Formula: C17H12ClN3OS MolecularWeight: 341.81468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CO3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CO3)C#N

InChI

InChI=1S/C17H12ClN3OS/c1-11-15(9-19)17(23-10-14-3-2-8-22-14)21-16(20-11)12-4-6-13(18)7-5-12/h2-8H,10H2,1H3