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

Systemtic Name: 1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Openeye Name: 1-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-23-13-8-10(7-12(14(13)20)19(21)22)9-16-18-15(24)17-11-5-3-2-4-6-11/h2-9,16H,1H3,(H2,17,18,24)