1-tert-butyl-3-[(E)-(1-oxidanyl-2,1,3-benzoxadiazol-6-ylidene)methyl]imino-thiourea

Systemtic Name: 1-tert-butyl-3-[(E)-(1-oxidanyl-2,1,3-benzoxadiazol-6-ylidene)methyl]imino-thiourea Openeye Name: 1-tert-butyl-3-[(E)-(1-hydroxy-2,1,3-benzoxadiazol-6-ylidene)methyl]imino-thiourea CAS Name: 1-tert-butyl-3-[(E)-(1-hydroxy-2,1,3-benzoxadiazol-6-ylidene)methyl]iminothiourea IUPAC Name: 1-tert-butyl-3-[(E)-(1-hydroxy-2,1,3-benzoxadiazol-6-ylidene)methyl]iminothiourea Traditional Name: 1-tert-butyl-3-[(E)-(3-hydroxybenzofurazan-5-ylidene)methyl]imino-thiourea Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N=NC=C1C=CC2=NON(C2=C1)O

Isomeric SMILES

CC(C)(C)NC(=S)N=N/C=C/1\C=CC2=NON(C2=C1)O

InChI

InChI=1S/C12H15N5O2S/c1-12(2,3)14-11(20)15-13-7-8-4-5-9-10(6-8)17(18)19-16-9/h4-7,18H,1-3H3,(H,14,20)/b8-7+,15-13?