bis(azanyl)methylidene-[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-azanium Openeye Name: [4-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-(diaminomethylene)ammonium CAS Name: [4-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]sulfonyl-(diaminomethylidene)ammonium IUPAC Name: [4-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-(diaminomethylidene)azanium Traditional Name: [4-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]sulfonyl-(diaminomethylene)ammonium Formula: C14H14BrN4O3S+ MolecularWeight: 398.25496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)Br)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)Br)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C14H13BrN4O3S/c15-10-1-6-13(20)9(7-10)8-18-11-2-4-12(5-3-11)23(21,22)19-14(16)17/h1-8,18H,(H4,16,17,19)/p+1