2-[4-(4-methylphenyl)-2-sulfanylidene-pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-methylphenyl)-2-sulfanylidene-pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(p-tolyl)-2-thioxo-pyrimidin-1-yl]benzonitrile CAS Name: 2-[4-(4-methylphenyl)-2-sulfanylidene-1-pyrimidinyl]benzonitrile IUPAC Name: 2-[4-(4-methylphenyl)-2-sulfanylidenepyrimidin-1-yl]benzonitrile Traditional Name: 2-[4-(p-tolyl)-2-thioxo-pyrimidin-1-yl]benzonitrile Formula: C18H13N3S MolecularWeight: 303.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H13N3S/c1-13-6-8-14(9-7-13)16-10-11-21(18(22)20-16)17-5-3-2-4-15(17)12-19/h2-11H,1H3