1-(2-hydroxyethyl)-2,4-bis(4-methylphenyl)-6-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(2-hydroxyethyl)-2,4-bis(4-methylphenyl)-6-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-(2-hydroxyethyl)-2,4-bis(p-tolyl)-6-thioxo-pyrimidine-5-carbonitrile CAS Name: 1-(2-hydroxyethyl)-2,4-bis(4-methylphenyl)-6-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-hydroxyethyl)-2,4-bis(4-methylphenyl)-6-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-(2-hydroxyethyl)-2,4-bis(p-tolyl)-6-thioxo-pyrimidine-5-carbonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=S)N(C(=N2)C3=CC=C(C=C3)C)CCO)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=S)N(C(=N2)C3=CC=C(C=C3)C)CCO)C#N

InChI

InChI=1S/C21H19N3OS/c1-14-3-7-16(8-4-14)19-18(13-22)21(26)24(11-12-25)20(23-19)17-9-5-15(2)6-10-17/h3-10,25H,11-12H2,1-2H3