4-(1,3-benzodioxol-5-yl)-1-ethyl-2-ethylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-ethyl-2-ethylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-ethyl-2-ethylsulfanyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-ethyl-2-(ethylthio)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-ethyl-2-ethylsulfanyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-ethyl-2-(ethylthio)-6-keto-pyrimidine-5-carbonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N=C1SCC)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCN1C(=O)C(=C(N=C1SCC)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C16H15N3O3S/c1-3-19-15(20)11(8-17)14(18-16(19)23-4-2)10-5-6-12-13(7-10)22-9-21-12/h5-7H,3-4,9H2,1-2H3