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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN4O3S/c1-9-12(16)3-2-4-13(9)18-15(24)19-17-8-10-7-11(20(22)23)5-6-14(10)21/h2-8,17H,1H3,(H2,18,19,24)/b10-8+