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

Systemtic Name: 4-[(2E)-2-[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzenesulfonate Openeye Name: 4-[(2E)-2-(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzenesulfonate CAS Name: 4-[(2E)-2-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzenesulfonate IUPAC Name: 4-[(2E)-2-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzenesulfonate Traditional Name: 4-[(N'E)-N'-(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]besylate Formula: C13H11N4O5S2- MolecularWeight: 367.38024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=N/NC2=CC=C(C=C2)S(=O)(=O)[O-])/C(=O)NC1=S

InChI

InChI=1S/C13H12N4O5S2/c1-2-7-17-12(19)10(11(18)14-13(17)23)16-15-8-3-5-9(6-4-8)24(20,21)22/h2-6,15H,1,7H2,(H,14,18,23)(H,20,21,22)/p-1/b16-10+