2-chloranyl-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-chloranyl-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 2-chloro-4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-6-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 2-chloro-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-chloro-4-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-6-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 2-chloro-4-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-6-hydroxy-cyclohexa-2,5-dien-1-one Formula: C12H11ClN4O2S MolecularWeight: 310.75934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2NC=C3C=C(C(=O)C(=C3)Cl)O

Isomeric SMILES

C1CC1C2=NNC(=S)N2NC=C3C=C(C(=O)C(=C3)Cl)O

InChI

InChI=1S/C12H11ClN4O2S/c13-8-3-6(4-9(18)10(8)19)5-14-17-11(7-1-2-7)15-16-12(17)20/h3-5,7,14,18H,1-2H2,(H,16,20)