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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCS/C(=N/NC=C1C=C(C=C(C1=O)Br)[N+](=O)[O-])/N

InChI

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