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

Systemtic Name: (4Z)-2-methoxy-6-nitro-4-[[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[[(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-methoxy-6-nitro-4-[[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-methoxy-6-nitro-4-[[(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[[(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-methoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1NC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NNC(=S)N1N/C=C\2/C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-7(2)12-15-16-13(23)17(12)14-6-8-4-9(18(20)21)11(19)10(5-8)22-3/h4-7,14H,1-3H3,(H,16,23)/b8-6-