1-[4-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea

Systemtic Name: 1-[4-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Openeye Name: [4-[(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thiourea IUPAC Name: [4-[(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Br)NC(=S)N

Isomeric SMILES

C1=CC(=CC=C1NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Br)NC(=S)N

InChI

InChI=1S/C14H11BrN4O3S/c15-9-5-8(13(20)12(6-9)19(21)22)7-17-10-1-3-11(4-2-10)18-14(16)23/h1-7,17H,(H3,16,18,23)