2-[4-[(4-chloranyl-2-methyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile

Systemtic Name: 2-[4-[(4-chloranyl-2-methyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile Openeye Name: 2-[4-[(4-chloro-2-methyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile CAS Name: 2-[4-[(4-chloro-2-methyl-6-propyl-5-pyrimidinyl)methyl]phenyl]-3-thiophenecarbonitrile IUPAC Name: 2-[4-[(4-chloro-2-methyl-6-propylpyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile Traditional Name: 2-[4-[(4-chloro-2-methyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]thiophene-3-carbonitrile Formula: C20H18ClN3S MolecularWeight: 367.89502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)C)Cl)CC2=CC=C(C=C2)C3=C(C=CS3)C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)C)Cl)CC2=CC=C(C=C2)C3=C(C=CS3)C#N

InChI

InChI=1S/C20H18ClN3S/c1-3-4-18-17(20(21)24-13(2)23-18)11-14-5-7-15(8-6-14)19-16(12-22)9-10-25-19/h5-10H,3-4,11H2,1-2H3