prop-2-enyl N'-[[(E)-(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate

Systemtic Name: prop-2-enyl N'-[[(E)-(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Openeye Name: 2-allyl-3-[[(E)-(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea CAS Name: N'-[[(E)-(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-[[(E)-(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamimidothioate Traditional Name: 2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea Formula: C11H11BrN4O3S MolecularWeight: 359.19904

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=NNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Br)N

Isomeric SMILES

C=CCSC(=NN/C=C/1\C=C(C=C(C1=O)[N+](=O)[O-])Br)N

InChI

InChI=1S/C11H11BrN4O3S/c1-2-3-20-11(13)15-14-6-7-4-8(12)5-9(10(7)17)16(18)19/h2,4-6,14H,1,3H2,(H2,13,15)/b7-6+