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

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 4-(2-furylmethylsulfanyl)-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbonitrile CAS Name: 4-(2-furanylmethylthio)-2-(4-methoxyphenyl)-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-2-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile Traditional Name: 4-(2-furfurylthio)-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-12-16(10-19)18(24-11-15-4-3-9-23-15)21-17(20-12)13-5-7-14(22-2)8-6-13/h3-9H,11H2,1-2H3