3-[[5-methyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 3-[[5-methyl-4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile Openeye Name: 3-[(6-benzyl-5-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile CAS Name: 3-[[5-methyl-4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]benzonitrile IUPAC Name: 3-[(6-benzyl-5-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile Traditional Name: 3-[(6-benzyl-4-keto-5-methyl-1H-pyrimidin-2-yl)thio]benzonitrile Formula: C19H15N3OS MolecularWeight: 333.4069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H15N3OS/c1-13-17(11-14-6-3-2-4-7-14)21-19(22-18(13)23)24-16-9-5-8-15(10-16)12-20/h2-10H,11H2,1H3,(H,21,22,23)