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

Systemtic Name: 4-[[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-methoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1NC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NNC(=S)N1NC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S/c1-3-4-5-12-16-17-14(24)18(12)15-8-9-6-10(19(21)22)13(20)11(7-9)23-2/h6-8,15H,3-5H2,1-2H3,(H,17,24)