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

Systemtic Name: 2-(2-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 2-(2-chlorophenyl)-4-(2-furylmethylsulfanyl)-6-methyl-pyrimidine-5-carbonitrile CAS Name: 2-(2-chlorophenyl)-4-(2-furanylmethylthio)-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(2-chlorophenyl)-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidine-5-carbonitrile Traditional Name: 2-(2-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=CC=C2Cl)SCC3=CC=CO3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC3=CC=CO3)C#N

InChI

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