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

Systemtic Name: 4-chloranyl-6-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C12H10ClN5O3S MolecularWeight: 339.7575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1C2=NNC(=S)N2NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClN5O3S/c13-8-3-7(10(19)9(4-8)18(20)21)5-14-17-11(6-1-2-6)15-16-12(17)22/h3-6,14H,1-2H2,(H,16,22)