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

Systemtic Name: 4-[(E)-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(E)-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile CAS Name: 4-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile IUPAC Name: 4-[(E)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzonitrile Traditional Name: 4-[(E)-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzonitrile Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)C#N)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)C#N)/C(=O)NC1=S

InChI

InChI=1S/C15H11N3O2S/c1-2-7-18-14(20)12(13(19)17-15(18)21)8-10-3-5-11(9-16)6-4-10/h2-6,8H,1,7H2,(H,17,19,21)/b12-8+