4-(4-chlorophenyl)-6-oxidanylidene-1-prop-2-enyl-2-prop-2-enylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-oxidanylidene-1-prop-2-enyl-2-prop-2-enylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 1-allyl-2-allylsulfanyl-4-(4-chlorophenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-oxo-1-prop-2-enyl-2-(prop-2-enylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-oxo-1-prop-2-enyl-2-prop-2-enylsulfanylpyrimidine-5-carbonitrile Traditional Name: 1-allyl-2-(allylthio)-4-(4-chlorophenyl)-6-keto-pyrimidine-5-carbonitrile Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=C(N=C1SCC=C)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C=CCN1C(=O)C(=C(N=C1SCC=C)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C17H14ClN3OS/c1-3-9-21-16(22)14(11-19)15(20-17(21)23-10-4-2)12-5-7-13(18)8-6-12/h3-8H,1-2,9-10H2