1-[4-[[(E)-(5-methyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea

Systemtic Name: 1-[4-[[(E)-(5-methyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea Openeye Name: [4-[[(E)-(5-methyl-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea CAS Name: [4-[[(E)-(5-methyl-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]phenyl]thiourea IUPAC Name: [4-[[(E)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea Traditional Name: [4-[[(E)-(6-keto-5-methyl-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]thiourea Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C/C(=C\NC2=CC=C(C=C2)NC(=S)N)/C1=O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O3S/c1-9-6-13(19(21)22)7-10(14(9)20)8-17-11-2-4-12(5-3-11)18-15(16)23/h2-8,17H,1H3,(H3,16,18,23)/b10-8+