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

Systemtic Name: 1-[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Openeye Name: [[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea CAS Name: [[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]thiourea IUPAC Name: [[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Traditional Name: [[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)N)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/NNC(=S)N)/C=CC1=O

InChI

InChI=1S/C9H11N3O2S/c1-14-8-4-6(2-3-7(8)13)5-11-12-9(10)15/h2-5,11H,1H3,(H3,10,12,15)/b6-5+