2-[4-[(2-methyl-6-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-methyl-6-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methyl-6-propyl-4-thioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-methyl-6-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-methyl-6-propyl-4-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-methyl-6-propyl-4-thioxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=S)N=C(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=S)N=C(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3S/c1-3-6-21-20(22(26)25-15(2)24-21)13-16-9-11-17(12-10-16)19-8-5-4-7-18(19)14-23/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,25,26)