2-methoxy-N-oxidanyl-4-(pyrrolidin-1-ylcarbothioylsulfanylamino)cyclohexa-2,5-dien-1-imine oxide

Systemtic Name: 2-methoxy-N-oxidanyl-4-(pyrrolidin-1-ylcarbothioylsulfanylamino)cyclohexa-2,5-dien-1-imine oxide Openeye Name: N-hydroxy-2-methoxy-4-(pyrrolidine-1-carbothioylsulfanylamino)cyclohexa-2,5-dien-1-imine oxide CAS Name: N-hydroxy-2-methoxy-4-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]amino]-1-cyclohexa-2,5-dienimine oxide IUPAC Name: N-hydroxy-2-methoxy-4-(pyrrolidine-1-carbothioylsulfanylamino)cyclohexa-2,5-dien-1-imine oxide Traditional Name: N-hydroxy-2-methoxy-4-[(pyrrolidine-1-carbothioylthio)amino]cyclohexa-2,5-dien-1-imine oxide Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C=CC1=[N+](O)[O-])NSC(=S)N2CCCC2

Isomeric SMILES

COC\1=CC(C=C/C1=[N+](\O)/[O-])NSC(=S)N2CCCC2

InChI

InChI=1S/C12H17N3O3S2/c1-18-11-8-9(4-5-10(11)15(16)17)13-20-12(19)14-6-2-3-7-14/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,16,17)