1-[[(1Z)-1-(1-oxidanylidene-4H-isochromen-3-ylidene)ethyl]amino]thiourea

Systemtic Name: 1-[[(1Z)-1-(1-oxidanylidene-4H-isochromen-3-ylidene)ethyl]amino]thiourea Openeye Name: [[(1Z)-1-(1-oxoisochroman-3-ylidene)ethyl]amino]thiourea CAS Name: [[(1Z)-1-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-ylidene)ethyl]amino]thiourea IUPAC Name: [[(1Z)-1-(1-oxo-4H-isochromen-3-ylidene)ethyl]amino]thiourea Traditional Name: [[(1Z)-1-(1-ketoisochroman-3-ylidene)ethyl]amino]thiourea Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CC2=CC=CC=C2C(=O)O1)NNC(=S)N

Isomeric SMILES

C/C(=C/1\CC2=CC=CC=C2C(=O)O1)/NNC(=S)N

InChI

InChI=1S/C12H13N3O2S/c1-7(14-15-12(13)18)10-6-8-4-2-3-5-9(8)11(16)17-10/h2-5,14H,6H2,1H3,(H3,13,15,18)/b10-7-