4-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile CAS Name: 4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile IUPAC Name: 4-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile Traditional Name: 4-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)N(C1=S)CC

InChI

InChI=1S/C16H15N3O2S/c1-3-18-14(20)13(15(21)19(4-2)16(18)22)9-11-5-7-12(10-17)8-6-11/h5-9H,3-4H2,1-2H3