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

Systemtic Name: 4-[[4,6-bis(oxidanylidene)-1,3-dipropyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(4,6-dioxo-1,3-dipropyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile CAS Name: 4-[(4,6-dioxo-1,3-dipropyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile IUPAC Name: 4-[(4,6-dioxo-1,3-dipropyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile Traditional Name: 4-[(4,6-diketo-1,3-dipropyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)N(C1=S)CCC

Isomeric SMILES

CCCN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)N(C1=S)CCC

InChI

InChI=1S/C18H19N3O2S/c1-3-9-20-16(22)15(17(23)21(10-4-2)18(20)24)11-13-5-7-14(12-19)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3