1-[4-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea

Systemtic Name: 1-[4-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea Openeye Name: [4-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea CAS Name: [4-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]phenyl]thiourea IUPAC Name: [4-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea Traditional Name: [4-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)[N+](=O)[O-])NC(=S)N

Isomeric SMILES

C1=CC(=CC=C1N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])NC(=S)N

InChI

InChI=1S/C14H12N4O3S/c15-14(22)17-11-3-1-10(2-4-11)16-8-9-7-12(18(20)21)5-6-13(9)19/h1-8,16H,(H3,15,17,22)/b9-8+